EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:83377 - 71-hydroxychlorophyll a(1−)

ChEBI IDCHEBI:83377
ChEBI Name71-hydroxychlorophyll a(1−)
Stars
ASCII Name7(1)-hydroxychlorophyll a(1-)
DefinitionThe cyclic tetrapyrrole anion that is the major form of 71-hydroxychlorophyll a at pH 7.3 (according to Marvin v. 6.2.0).
Last Modified7 January 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC55H71MgN4O6
Net Charge-1
Average Mass908.500
Monoisotopic Mass907.52295
SMILESC=Cc1c(C)c2[n]3c1=CC1=[N+]4C(=Cc5c(C)c6c7[n]5[Mg-2]34[N+]3=C(C=2)[C@@H](C)[C@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C3=C7[C-](C(=O)OC)C6=O)C(CC)=C1CO
InChIInChI=1S/C55H72N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-29,31-33,36,40,60H,1,13-24,26,30H2,2-11H3,(H-,56,57,58,59,62);/q-2;+2/p-1/b34-25+;/t32-,33-,36+,40+;/m1./s1
InChIKeyGTDBMSHAERJYQW-YKKLGNEQSA-M
ChEBI Ontology
Outgoing Relation(s)
71-hydroxychlorophyll a(1−) (CHEBI:83377) has functional parent chlorophyll a(1−) (CHEBI:58416)
71-hydroxychlorophyll a(1−) (CHEBI:83377) is a cyclic tetrapyrrole anion (CHEBI:58941)
71-hydroxychlorophyll a(1−) (CHEBI:83377) is conjugate base of 71-hydroxychlorophyll a (CHEBI:76032)
Incoming Relation(s)
71-hydroxychlorophyll a (CHEBI:76032) is conjugate acid of 71-hydroxychlorophyll a(1−) (CHEBI:83377)
UniProt Name  Source
71-hydroxychlorophyll aUniProt