PHEOPHYTIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C55H74N4O5
Molecular Weight	871.1999
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCC1=C(C)C2=CC3=C(C=C)C(C)=C(N3)C=C4N=C([C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]4C)C5=C6NC(=CC1=N2)C(C)=C6C(=O)[C@@H]5C(=O)OC

InChI

InChIKey=CQIKWXUXPNUNDV-RCBXBCQGSA-N

InChI=1S/C55H74N4O5/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/h13,26,28-33,37,41,51,56,59H,1,14-25,27H2,2-12H3/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50-/t32-,33-,37+,41+,51-/m1/s1

HIDE SMILES / InChI

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

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:54:24 GMT 2025` Edited by `admin` on `Mon Mar 31 18:54:24 GMT 2025`
Record UNII	PLU1CG1U91
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PHEOPHYTIN A

Common Name

English

CHLOROPHYLLIC ACID A

Preferred 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, (3S-(3.ALPHA.(2E,7S*,11S*),4.BETA.,21.BETA.))-

Systematic Name

English

3-PHORBINEPROPANOIC ACID, 9-ETHENYL-14-ETHYL-21-(METHOXYCARBONYL)-4,8,13,18-TETRAMETHYL-20-OXO-, (2E,7R,11R)-3,7,11,15-TETRAMETHYL-2-HEXADECEN-1-YL ESTER, (3S,4S,21R)-

Systematic Name

English

PHAEOPHYTIN A

Common Name

English

3-PHORBINEPROPIONIC ACID, 21-CARBOXY-14-ETHYL-4,8,13,18-TETRAMETHYL-20-OXO-9-VINYL-, 21-METHYL 3-PHYTYL ESTER, (E)-

Systematic Name

English

PHEOPHYTIN A5

Common Name

English

3-PHORBINEPROPANOIC ACID, 9-ETHENYL-14-ETHYL-21-(METHOXYCARBONYL)-4,8,13,18-TETRAMETHYL-20-OXO-, (2E,7R,11R)-3,7,11,15-TETRAMETHYL-2-HEXADECENYL ESTER, (3S,4S,21R)-

Systematic Name

English

Code System Code Type Description

CHEBI

44898