EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:136507 - mycobilin a(2−)

ChEBI IDCHEBI:136507
ChEBI Namemycobilin a(2−)
Stars
ASCII Namemycobilin a(2-)
DefinitionA linear tetrapyrrole anion obtained by deprotonation of the two carboxy groups of mycobilin a; major species at pH 7.3.
Last Modified5 June 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC34H32N4O7
Net Charge-2
Average Mass608.651
Monoisotopic Mass608.22820
SMILESC=CC1=C(C)/C(=C/C2=N/C(=C\c3nc(C(=O)c4nc(C=O)c(C)c4C=C)c(C)c3CCC(=O)[O-])C(CCC(=O)[O-])=C2C)NC1=O
InChIInChI=1S/C34H34N4O7/c1-7-20-16(3)28(15-39)37-32(20)33(44)31-19(6)23(10-12-30(42)43)27(36-31)14-26-22(9-11-29(40)41)18(5)24(35-26)13-25-17(4)21(8-2)34(45)38-25/h7-8,13-15,36-37H,1-2,9-12H2,3-6H3,(H,38,45)(H,40,41)(H,42,43)/p-2/b25-13-,26-14-
InChIKeyFGIWERLBODFBEY-WFBNZKAHSA-L
ChEBI Ontology
Outgoing Relation(s)
mycobilin a(2−) (CHEBI:136507) is a dicarboxylic acid dianion (CHEBI:28965)
mycobilin a(2−) (CHEBI:136507) is a linear tetrapyrrole anion (CHEBI:59252)
mycobilin a(2−) (CHEBI:136507) is conjugate base of mycobilin a (CHEBI:137287)
Incoming Relation(s)
mycobilin a (CHEBI:137287) is conjugate acid of mycobilin a(2−) (CHEBI:136507)
UniProt Name  Source
mycobilin aUniProt
Manual XrefsDatabases
CPD-19716MetaCyc
Citations