divinyl chlorophyllide a (CHEBI:38259)

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CHEBI:38259 - divinyl chlorophyllide a

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ChEBI ID	CHEBI:38259
ChEBI Name	divinyl chlorophyllide a
Stars
ASCII Name	divinyl chlorophyllide a
Secondary ChEBI IDs	CHEBI:14185, CHEBI:29576
Last Modified	16 March 2015
Submitter	Kirill Degtyarenko
Downloads	Molfile

Formula	C35H32MgN4O5
Net Charge	0
Average Mass	612.969
Monoisotopic Mass	612.22231
SMILES	C=CC1=C(C)C2=[N+]3C1=Cc1c(C)c4c5[n]1[Mg-2]31[n]3c(c(C)c(C=C)c3=C2)=CC2=[N+]1C(=C5[C@@H](C(=O)OC)C4=O)[C@@H](CCC(=O)O)[C@@H]2C
InChI	InChI=1S/C35H34N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-9,12-14,17,21,31H,1-2,10-11H2,3-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/t17-,21-,31+;/m0./s1
InChIKey	IQLDSMIBDORHSF-NYABAGMLSA-L

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:	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 chlorophyllide a (CHEBI:38259) is a chlorophyllide (CHEBI:38206)
	divinyl chlorophyllide a (CHEBI:38259) is a dicarboxylic acid monoester (CHEBI:36244)
	divinyl chlorophyllide a (CHEBI:38259) is a methyl ester (CHEBI:25248)
	divinyl chlorophyllide a (CHEBI:38259) is conjugate acid of divinyl chlorophyllide a(1−) (CHEBI:58688)
Incoming Relation(s)
	divinyl chlorophyll a (CHEBI:73113) has functional parent divinyl chlorophyllide a (CHEBI:38259)
	divinyl chlorophyllide a(1−) (CHEBI:58688) is conjugate base of divinyl chlorophyllide a (CHEBI:38259)

IUPAC Name
{3-[(3S,4S,21R)-9,14-diethenyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxophorbin-3-yl-κ⁴N²³,N²⁴,N²⁵,N²⁶]propanoato(2−)}magnesium

Synonyms	Source
Divinyl chlorophyllide a	KEGG COMPOUND
{3-[(3S,4S,21R)-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9,14-divinylphorbin-3-yl-κ⁴N²³,N²⁴,N²⁵,N²⁶]propanoato(2−)}magnesium	IUPAC

Manual Xrefs	Databases
C11832	KEGG COMPOUND

Registry Numbers	Sources
Beilstein:9984505	Beilstein