U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C55H72N4O5.Mg
Molecular Weight 893.489
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CHLOROPHYLL A

SMILES

[Mg++].CCC1=C(C)C2=NC1=CC3=C(C)C4=C([N-]3)C([C@@H](C(=O)OC)C4=O)=C5N=C(C=C6[N-]C(=C2)C(C=C)=C6C)[C@@H](C)[C@@H]5CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C

InChI

InChIKey=ATNHDLDRLWWWCB-AENOIHSZSA-M
InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1

HIDE SMILES / InChI
Molecular Formula Mg
Molecular Weight 24.305
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C55H72N4O5
Molecular Weight 869.184
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

2024
52
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:22:38 UTC 2023
Edited
by admin
on Fri Dec 15 16:22:38 UTC 2023
Record UNII
YF5Q9EJC8Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHLOROPHYLL A
MI   USP-RS  
Common Name English
CHLOROPHYLL A [USP-RS]
Common Name English
CHLOROPHYLL A (CONSTITUENT OF SAW PALMETTO) [DSC]
Common Name English
MAGNESIUM, ((2E,7R,11R)-3,7,11,15-TETRAMETHYL-2-HEXADECENYL (3S,4S,21R)-9-ETHENYL-14-ETHYL-21-(METHOXYCARBONYL)-4,8,13,18-TETRAMETHYL-20-OXO-3-PHORBINEPROPANOATO(2-)-.KAPPA.N23,.KAPPA.N24,.KAPPA.N25,.KAPPA.N26)-, (SP-4-2)-
Common Name English
MAGNESIUM PHEOPHYTIN
Common Name English
MAGNESIUM, (3,7,11,15-TETRAMETHYL-2-HEXADECENYL 9-ETHENYL-14-ETHYL-21-(METHOXYCARBONYL)-4,8,13,18-TETRAMETHYL-20-OXO-3-PHORBINEPROPANOATO(2-)-.KAPPA.N23,.KAPPA.N24,.KAPPA.N25,.KAPPA.N26)-, (SP-4-2-(3S-(3.ALPHA.(2E,7S*,11S*),4.BETA.,21.BETA.)))-
Common Name English
INS-140(PHAEOPHYTIN A)
Common Name English
CHEBI:18230
Code English
MAGNESIUM, (DIHYDROGEN 21-CARBOXY-14-ETHYL-4,8,13,18-TETRAMETHYL-20-OXO-9-VINYL-3-PHORBINEPROPIONATO(2-))-, 21-METHYL 3-PHYTYL ESTER, (E)-
Common Name English
C05306
Code English
CHLOROPHYLL A [MI]
Common Name English
.ALPHA.-CHLOROPHYLL
Common Name English
E-140(PHAEOPHYTIN A)
Common Name English
CHLOROPHYLL-1
Common Name English
MAGNESIUM, (3,7,11,15-TETRAMETHYL-2-HEXADECENYL 9-ETHENYL-14-ETHYL-21-(METHOXYCARBONYL)-4,8,13,18-TETRAMETHYL-20-OXO-3-PHORBINEPROPANOATO(2-)-N23,N24,N25,N26)-, (SP-4-2-(3S-(3.ALPHA.(2E,7S*,11S*),4.BETA.,21.BETA.)))-
Common Name English
VEGETABLE CHLOROPHYLL
Common Name English
INS NO.140(PHAEOPHYTIN A)
Common Name English
3-PHORBINEPROPANOIC ACID, 9-ETHENYL-14-ETHYL-21-(METHOXYCARBONYL)-4,8,13,18-TETRAMETHYL-20-OXO-, 3,7,11,15-TETRAMETHYL-2-HEXADECENYL ESTER, MAGNESIUM COMPLEX, (3S-(3.ALPHA.(2E,7S*,11S*),4.BETA.,21.BETA.))-
Common Name English
Classification Tree Code System Code
JECFA EVALUATION INS-140(PHAEOPHYTIN A)
Created by admin on Fri Dec 15 16:22:38 UTC 2023 , Edited by admin on Fri Dec 15 16:22:38 UTC 2023
CODEX ALIMENTARIUS (GSFA) INS-140(PHAEOPHYTIN A)
Created by admin on Fri Dec 15 16:22:38 UTC 2023 , Edited by admin on Fri Dec 15 16:22:38 UTC 2023
Code System Code Type Description
PUBCHEM
12085802
Created by admin on Fri Dec 15 16:22:38 UTC 2023 , Edited by admin on Fri Dec 15 16:22:38 UTC 2023
PRIMARY
CHEBI
18230
Created by admin on Fri Dec 15 16:22:38 UTC 2023 , Edited by admin on Fri Dec 15 16:22:38 UTC 2023
PRIMARY
FDA UNII
YF5Q9EJC8Y
Created by admin on Fri Dec 15 16:22:38 UTC 2023 , Edited by admin on Fri Dec 15 16:22:38 UTC 2023
PRIMARY
MERCK INDEX
m3428
Created by admin on Fri Dec 15 16:22:38 UTC 2023 , Edited by admin on Fri Dec 15 16:22:38 UTC 2023
PRIMARY Merck Index
EPA CompTox
DTXSID90889346
Created by admin on Fri Dec 15 16:22:38 UTC 2023 , Edited by admin on Fri Dec 15 16:22:38 UTC 2023
PRIMARY
WIKIPEDIA
CHLOROPHYLL A
Created by admin on Fri Dec 15 16:22:38 UTC 2023 , Edited by admin on Fri Dec 15 16:22:38 UTC 2023
PRIMARY
DRUG BANK
DB02133
Created by admin on Fri Dec 15 16:22:38 UTC 2023 , Edited by admin on Fri Dec 15 16:22:38 UTC 2023
PRIMARY
SMS_ID
100000087031
Created by admin on Fri Dec 15 16:22:38 UTC 2023 , Edited by admin on Fri Dec 15 16:22:38 UTC 2023
PRIMARY
RS_ITEM_NUM
1116774
Created by admin on Fri Dec 15 16:22:38 UTC 2023 , Edited by admin on Fri Dec 15 16:22:38 UTC 2023
PRIMARY
ECHA (EC/EINECS)
207-536-6
Created by admin on Fri Dec 15 16:22:38 UTC 2023 , Edited by admin on Fri Dec 15 16:22:38 UTC 2023
PRIMARY
CHEBI
58416
Created by admin on Fri Dec 15 16:22:38 UTC 2023 , Edited by admin on Fri Dec 15 16:22:38 UTC 2023
PRIMARY
EVMPD
SUB20895
Created by admin on Fri Dec 15 16:22:38 UTC 2023 , Edited by admin on Fri Dec 15 16:22:38 UTC 2023
PRIMARY
CAS
479-61-8
Created by admin on Fri Dec 15 16:22:38 UTC 2023 , Edited by admin on Fri Dec 15 16:22:38 UTC 2023
PRIMARY
Related Record Type Details
SPIRULINA
PARENT -> CONSTITUENT ALWAYS PRESENT
Concentration of Chlorophyll a in Spirulina supercritical extract (from 75 g of Spirulina powder (air-dried))
ASSAY (HPLC)
Batch Data
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966