3-acetylchlorophyllide a (CHEBI:91128)

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CHEBI:91128 - 3-acetylchlorophyllide a

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ChEBI ID	CHEBI:91128
ChEBI Name	3-acetylchlorophyllide a
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ASCII Name	3-acetylchlorophyllide a
Definition	A chlorophyllide obtained by hydrolysis of the terpenoid ester moiety of 3-acetylchlorophyll a.
Last Modified	9 February 2016
Submitter	Steve
Downloads	Molfile

Formula	C35H34MgN4O6
Net Charge	0
Average Mass	630.984
Monoisotopic Mass	630.23288
SMILES	CCC1=C(C)C2=[N+]3C1=Cc1c(C)c4c5[n]1[Mg-2]31[n]3c(c(C)c(C(C)=O)c3=C2)=CC2=[N+]1C(=C5[C@@H](C(=O)OC)C4=O)[C@@H](CCC(=O)O)[C@@H]2C
InChI	InChI=1S/C35H36N4O6.Mg/c1-8-19-14(2)21-13-26-28(18(6)40)16(4)23(37-26)11-22-15(3)20(9-10-27(41)42)32(38-22)30-31(35(44)45-7)34(43)29-17(5)24(39-33(29)30)12-25(19)36-21;/h11-13,15,20,31H,8-10H2,1-7H3,(H3,36,37,38,39,40,41,42,43);/q;+2/p-2/t15-,20-,31+;/m0./s1
InChIKey	IRCCOQFJBKCMIV-CUSHWANBSA-L

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:	bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. 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)
	3-acetylchlorophyllide a (CHEBI:91128) has role bacterial metabolite (CHEBI:76969)
	3-acetylchlorophyllide a (CHEBI:91128) is a chlorophyllide (CHEBI:38206)
	3-acetylchlorophyllide a (CHEBI:91128) is a dicarboxylic acid monoester (CHEBI:36244)
	3-acetylchlorophyllide a (CHEBI:91128) is a methyl ester (CHEBI:25248)
	3-acetylchlorophyllide a (CHEBI:91128) is a methyl ketone (CHEBI:51867)
	3-acetylchlorophyllide a (CHEBI:91128) is conjugate acid of 3-acetylchlorophyllide a(2−) (CHEBI:90794)
Incoming Relation(s)
Incoming Relation(s)	3-acetylchlorophyllide a(2−) (CHEBI:90794) is conjugate base of 3-acetylchlorophyllide a (CHEBI:91128)

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

Synonym	Source
3-devinyl-3-acetyl-chlorophyllide a	MetaCyc

Manual Xrefs	Databases
CPD-18840	MetaCyc

Citations