12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1-) (CHEBI:90966)

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CHEBI:90966 - 12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1−)

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ChEBI ID	CHEBI:90966
ChEBI Name	12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1−)
Stars
ASCII Name	12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1-)
Definition	A cyclic tetrapyrrole anion that is the conjugate base of 12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified	21 November 2016
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C35H35MgN4O3
Net Charge	-1
Average Mass	583.995
Monoisotopic Mass	583.25651
SMILES	C=Cc1c(C)c2[n]3c1=CC1=[N+]4C(=Cc5c(CC)c6c7[n]5[Mg-2]34[N+]3=C(C=2)[C@@H](C)[C@H](CCC(=O)[O-])C3=C7CC6=O)C(CCC)=C1C
InChI	InChI=1S/C35H38N4O3.Mg/c1-7-10-22-18(5)26-15-28-20(8-2)17(4)25(36-28)14-27-19(6)23(11-12-32(41)42)34(38-27)24-13-31(40)33-21(9-3)29(39-35(24)33)16-30(22)37-26;/h8,14-16,19,23H,2,7,9-13H2,1,3-6H3,(H3,36,37,38,39,40,41,42);/q;+2/p-3/t19-,23-;/m0./s1
InChIKey	KEGFWQJFYCEKAJ-ZWHLOQRUSA-K

Roles Classification

Biological Role:

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

ChEBI Ontology

Outgoing Relation(s)
	12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1−) (CHEBI:90966) has role bacterial metabolite (CHEBI:76969)
	12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1−) (CHEBI:90966) is a cyclic tetrapyrrole anion (CHEBI:58941)
	12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1−) (CHEBI:90966) is a monocarboxylic acid anion (CHEBI:35757)
	12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1−) (CHEBI:90966) is conjugate base of 12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d (CHEBI:131587)
Incoming Relation(s)
Incoming Relation(s)	12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d (CHEBI:131587) is conjugate acid of 12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1−) (CHEBI:90966)

IUPAC Name
{3-[(3S,4S)-9-ethenyl-18-ethyl-4,8,13-trimethyl-20-oxo-14-propylphorbin-3-yl-κ⁴N²³,N²⁴,N²⁵,N²⁶]propanoato(3−)}magnesate(1−)

UniProt Name	Source
12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d	UniProt

Manual Xrefs	Databases
CPD-18843	MetaCyc

Citations