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CHEBI:77667 - 2,4-divinyl protochlorophyllide a(1−)

ChEBI IDCHEBI:77667
ChEBI Name2,4-divinyl protochlorophyllide a(1−)
Stars
ASCII Name2,4-divinyl protochlorophyllide a(1-)
DefinitionA cyclic tetrapyrrole anion that is the conjugate base of magnesium protoporphyrin 13-monomethyl ester, formed by deprotonation of the carboxyethyl group at C-17; major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified7 January 2016
SubmitterKAX
DownloadsMolfile
FormulaC35H29MgN4O5
Net Charge-1
Average Mass609.945
Monoisotopic Mass609.19939
SMILESC=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(CCC(=O)[O-])=C2C
InChIInChI=1S/C35H32N4O5.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;/h8-9,12-14,31H,1-2,10-11H2,3-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-3/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-;/t31-;/m1./s1
InChIKeyYXBIPIDDNARELO-KKNVGXODSA-K
ChEBI Ontology
Outgoing Relation(s)
2,4-divinyl protochlorophyllide a(1−) (CHEBI:77667) is a cyclic tetrapyrrole anion (CHEBI:58941)
2,4-divinyl protochlorophyllide a(1−) (CHEBI:77667) is a monocarboxylic acid anion (CHEBI:35757)
2,4-divinyl protochlorophyllide a(1−) (CHEBI:77667) is conjugate acid of 2,4-divinyl protochlorophyllide a(2−) (CHEBI:58632)
2,4-divinyl protochlorophyllide a(1−) (CHEBI:77667) is conjugate base of 2,4-divinyl protochlorophyllide a (CHEBI:30619)
Incoming Relation(s)
2,4-divinyl protochlorophyllide a (CHEBI:30619) is conjugate acid of 2,4-divinyl protochlorophyllide a(1−) (CHEBI:77667)
2,4-divinyl protochlorophyllide a(2−) (CHEBI:58632) is conjugate base of 2,4-divinyl protochlorophyllide a(1−) (CHEBI:77667)
IUPAC Name 
{3-[(21R)-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9,14-divinyl-3,4-didehydrophorbin-3-yl-κ4N23,N24,N25,N26]propanoato(3−)}magnesiate(1−)