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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,4-divinyl protochlorophyllide a(1−)
ChEBI ID CHEBI:77667
ChEBI ASCII Name 2,4-divinyl protochlorophyllide a(1-)
Definition A 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.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C35H29MgN4O5
Net Charge -1
Average Mass 609.93400
Monoisotopic Mass 609.19939
InChI InChI=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
InChIKey YXBIPIDDNARELO-KKNVGXODSA-K
SMILES COC(=O)[C@H]1C(=O)c2c(C)c3C=C4C(C=C)=C(C)C5=[N+]4[Mg--]46n3c2C1=C1C(CCC([O-])=O)=C(C)C(C=c2c(C)c(C=C)c(=C5)n42)=[N+]61
ChEBI Ontology
Outgoing 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 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−)
Last Modified
07 January 2016