3-(1-hydroxyethyl)chlorophyllide a(2-) (CHEBI:90792)

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CHEBI:90792 - 3-(1-hydroxyethyl)chlorophyllide a(2−)

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ChEBI ID	CHEBI:90792
ChEBI Name	3-(1-hydroxyethyl)chlorophyllide a(2−)
Stars
ASCII Name	3-(1-hydroxyethyl)chlorophyllide a(2-)
Definition	A cyclic tetrapyrrole anion that is obtained from 3-(1-hydroxyethyl)chlorophyllide a via deprotonation of the carboxy group and formation of a carbide ion. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified	7 August 2016
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C35H34MgN4O6
Net Charge	-2
Average Mass	630.984
Monoisotopic Mass	630.23397
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-](C(=O)OC)C4=O)[C@@H](CCC(=O)[O-])[C@@H]2C
InChI	InChI=1S/C35H37N4O6.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;/h11-13,15,18,20,40H,8-10H2,1-7H3,(H3,36,37,38,39,41,42,43);/q-1;+2/p-3/t15-,18?,20-;/m0./s1
InChIKey	NVCVIPRLIABPAM-TTWAWOKTSA-K

Species of Metabolite	Component	Source	Comments
Chlorobaculum tepidum (ncbitaxon:1097)	-	PubMed (26088139)

Roles Classification

Biological Role:

bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria.

ChEBI Ontology

Outgoing Relation(s)
	3-(1-hydroxyethyl)chlorophyllide a(2−) (CHEBI:90792) has role bacterial metabolite (CHEBI:76969)
	3-(1-hydroxyethyl)chlorophyllide a(2−) (CHEBI:90792) is a cyclic tetrapyrrole anion (CHEBI:58941)
	3-(1-hydroxyethyl)chlorophyllide a(2−) (CHEBI:90792) is a monocarboxylic acid anion (CHEBI:35757)
	3-(1-hydroxyethyl)chlorophyllide a(2−) (CHEBI:90792) is conjugate base of 3-(1-hydroxyethyl)chlorophyllide a (CHEBI:81545)
Incoming Relation(s)
Incoming Relation(s)	3-(1-hydroxyethyl)chlorophyllide a (CHEBI:81545) is conjugate acid of 3-(1-hydroxyethyl)chlorophyllide a(2−) (CHEBI:90792)

IUPAC Name
{3-[(3S,4S)-14-ethyl-9-(1-hydroxyethyl)-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxophorbin-3-yl-κ⁴N²³,N²⁴,N²⁵,N²⁶]propanoato(4−)}magnesate(2−)

Synonym	Source
3-hydroxyethylchlorophyllide a(2−)	ChEBI

UniProt Name	Source
3-devinyl-3-(1-hydroxyethyl)chlorophyllide a	UniProt

Manual Xrefs	Databases
CPD-9064	MetaCyc

Citations