3-(1-hydroxyethyl)bacteriochlorophyllide a(2-) (CHEBI:90791)

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CHEBI:90791 - 3-(1-hydroxyethyl)bacteriochlorophyllide a(2−)

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ChEBI ID	CHEBI:90791
ChEBI Name	3-(1-hydroxyethyl)bacteriochlorophyllide a(2−)
Stars
ASCII Name	3-(1-hydroxyethyl)bacteriochlorophyllide a(2-)
Definition	A cyclic tetrapyrrole anion that is obtained from 3-(1-hydroxyethyl)bacteriochlorophyllide 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	C35H36MgN4O6
Net Charge	-2
Average Mass	633.000
Monoisotopic Mass	632.24962
SMILES	CC[C@H]1C2=Cc3c(C)c4c5[n]3[Mg-2]36[n]7c(c(C)c(C(C)O)c7=CC(=[N+]23)[C@@H]1C)=CC1=[N+]6C(=C5[C-](C(=O)OC)C4=O)[C@@H](CCC(=O)[O-])[C@@H]1C
InChI	InChI=1S/C35H39N4O6.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;/h11-15,18-20,40H,8-10H2,1-7H3,(H3,36,37,38,39,41,42,43);/q-1;+2/p-3/t14-,15+,18?,19-,20+;/m1./s1
InChIKey	SKJGCVZHIGFNAI-RFWPBIQDSA-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)bacteriochlorophyllide a(2−) (CHEBI:90791) has role bacterial metabolite (CHEBI:76969)
	3-(1-hydroxyethyl)bacteriochlorophyllide a(2−) (CHEBI:90791) is a cyclic tetrapyrrole anion (CHEBI:58941)
	3-(1-hydroxyethyl)bacteriochlorophyllide a(2−) (CHEBI:90791) is a monocarboxylic acid anion (CHEBI:35757)
	3-(1-hydroxyethyl)bacteriochlorophyllide a(2−) (CHEBI:90791) is conjugate base of 3-(1-hydroxyethyl)bacteriochlorophyllide a (CHEBI:81544)
Incoming Relation(s)
Incoming Relation(s)	3-(1-hydroxyethyl)bacteriochlorophyllide a (CHEBI:81544) is conjugate acid of 3-(1-hydroxyethyl)bacteriochlorophyllide a(2−) (CHEBI:90791)

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

Synonyms	Source
3-hydroxyethylbacteriochlorophyllide a(2−)	ChEBI
3-desacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a(2−)	ChEBI

UniProt Name	Source
3-deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a	UniProt

Manual Xrefs	Databases
CPD-9065	MetaCyc

Citations