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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 GMT 2023
Edited
by admin
on Fri Dec 15 16:22:38 GMT 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 GMT 2023 , Edited by admin on Fri Dec 15 16:22:38 GMT 2023
CODEX ALIMENTARIUS (GSFA) INS-140(PHAEOPHYTIN A)
Created by admin on Fri Dec 15 16:22:38 GMT 2023 , Edited by admin on Fri Dec 15 16:22:38 GMT 2023
Code System Code Type Description
PUBCHEM
12085802
Created by admin on Fri Dec 15 16:22:38 GMT 2023 , Edited by admin on Fri Dec 15 16:22:38 GMT 2023
PRIMARY
CHEBI
18230
Created by admin on Fri Dec 15 16:22:38 GMT 2023 , Edited by admin on Fri Dec 15 16:22:38 GMT 2023
PRIMARY
FDA UNII
YF5Q9EJC8Y
Created by admin on Fri Dec 15 16:22:38 GMT 2023 , Edited by admin on Fri Dec 15 16:22:38 GMT 2023
PRIMARY
MERCK INDEX
m3428
Created by admin on Fri Dec 15 16:22:38 GMT 2023 , Edited by admin on Fri Dec 15 16:22:38 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID90889346
Created by admin on Fri Dec 15 16:22:38 GMT 2023 , Edited by admin on Fri Dec 15 16:22:38 GMT 2023
PRIMARY
WIKIPEDIA
CHLOROPHYLL A
Created by admin on Fri Dec 15 16:22:38 GMT 2023 , Edited by admin on Fri Dec 15 16:22:38 GMT 2023
PRIMARY
DRUG BANK
DB02133
Created by admin on Fri Dec 15 16:22:38 GMT 2023 , Edited by admin on Fri Dec 15 16:22:38 GMT 2023
PRIMARY
SMS_ID
100000087031
Created by admin on Fri Dec 15 16:22:38 GMT 2023 , Edited by admin on Fri Dec 15 16:22:38 GMT 2023
PRIMARY
RS_ITEM_NUM
1116774
Created by admin on Fri Dec 15 16:22:38 GMT 2023 , Edited by admin on Fri Dec 15 16:22:38 GMT 2023
PRIMARY
ECHA (EC/EINECS)
207-536-6
Created by admin on Fri Dec 15 16:22:38 GMT 2023 , Edited by admin on Fri Dec 15 16:22:38 GMT 2023
PRIMARY
CHEBI
58416
Created by admin on Fri Dec 15 16:22:38 GMT 2023 , Edited by admin on Fri Dec 15 16:22:38 GMT 2023
PRIMARY
EVMPD
SUB20895
Created by admin on Fri Dec 15 16:22:38 GMT 2023 , Edited by admin on Fri Dec 15 16:22:38 GMT 2023
PRIMARY
CAS
479-61-8
Created by admin on Fri Dec 15 16:22:38 GMT 2023 , Edited by admin on Fri Dec 15 16:22:38 GMT 2023
PRIMARY
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