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CHEBI:137287 - mycobilin a

ChEBI IDCHEBI:137287
ChEBI Namemycobilin a
Stars
ASCII Namemycobilin a
DefinitionA linear tetrapyrrole obtained by the enzymic degradation of heme by Mycobacterium tuberculosis enzyme MhuD.
Last Modified5 June 2017
SubmitterSteve
DownloadsMolfile
FormulaC34H34N4O7
Net Charge0
Average Mass610.667
Monoisotopic Mass610.24275
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)/b25-13-,26-14-
InChIKeyFGIWERLBODFBEY-WFBNZKAHSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
mycobilin a (CHEBI:137287) is a arenecarbaldehyde (CHEBI:33855)
mycobilin a (CHEBI:137287) is a aromatic ketone (CHEBI:76224)
mycobilin a (CHEBI:137287) is a dicarboxylic acid (CHEBI:35692)
mycobilin a (CHEBI:137287) is a linear tetrapyrrole (CHEBI:25046)
mycobilin a (CHEBI:137287) is conjugate acid of mycobilin a(2−) (CHEBI:136507)
Incoming Relation(s)
mycobilin a(2−) (CHEBI:136507) is conjugate base of mycobilin a (CHEBI:137287)
Manual XrefsDatabases
CPD-19716MetaCyc
Citations