divinyl chlorophyll a (CHEBI:73113)

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CHEBI:73113 - divinyl chlorophyll a

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ChEBI ID	CHEBI:73113
ChEBI Name	divinyl chlorophyll a
Stars
ASCII Name	divinyl chlorophyll a
Definition	A carboxylic ester obtained by formal condensation of the carboxy group of divinyl chlorophyll a with the hydroxy group of (2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol.
Last Modified	26 July 2019
Submitter	Steve
Downloads	Molfile

Formula	C55H70MgN4O5
Net Charge	0
Average Mass	891.493
Monoisotopic Mass	890.51966
SMILES	C=CC1=C(C)C2=Cc3c(C=C)c(C)c4[n]3[Mg-2]35[n]6c(c(C)c7c6=C(C6=[N+]3C(=C4)[C@@H](C)[C@@H]6CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H](C(=O)OC)C7=O)=CC1=[N+]25
InChI	InChI=1S/C55H71N4O5.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;/h13-14,26,28-33,37,41,51H,1-2,15-25,27H2,3-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1
InChIKey	COQGSKNKQZLZEJ-AENOIHSZSA-M

Roles Classification

Biological Roles:

cofactor An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).

cofactor An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).

ChEBI Ontology

Outgoing Relation(s)
	divinyl chlorophyll a (CHEBI:73113) has functional parent divinyl chlorophyllide a (CHEBI:38259)
	divinyl chlorophyll a (CHEBI:73113) has role cofactor (CHEBI:23357)
	divinyl chlorophyll a (CHEBI:73113) is a chlorophyll (CHEBI:28966)
	divinyl chlorophyll a (CHEBI:73113) is a methyl ester (CHEBI:25248)
	divinyl chlorophyll a (CHEBI:73113) is conjugate acid of divinyl chlorophyll a(1−) (CHEBI:73095)
Incoming Relation(s)
Incoming Relation(s)	divinyl chlorophyll a(1−) (CHEBI:73095) is conjugate base of divinyl chlorophyll a (CHEBI:73113)

IUPAC Name
[methyl (3S,4S,21R)-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-9,14-divinylphorbine-21-carboxylatato(2−)-κ⁴N²³,N²⁴,N²⁵,N²⁶]magnesium

Synonym	Source
Divinylchlorophyll a	KEGG COMPOUND

Manual Xrefs	Databases
C11850	KEGG COMPOUND

Registry Numbers	Sources
Reaxys:21120522	Reaxys

Citations