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CHEBI:137297 - mycobilin b

ChEBI IDCHEBI:137297
ChEBI Namemycobilin b
Stars
ASCII Namemycobilin b
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(=O)N/C1=C\c1nc(/C=C2\N=C(C(=O)c3nc(C=O)c(C=C)c3C)C(C)=C2CCC(=O)O)c(CCC(=O)O)c1C
InChIInChI=1S/C34H34N4O7/c1-7-20-17(4)31(37-28(20)15-39)33(44)32-18(5)23(10-12-30(42)43)27(36-32)14-26-22(9-11-29(40)41)16(3)24(35-26)13-25-21(8-2)19(6)34(45)38-25/h7-8,13-15,35,37H,1-2,9-12H2,3-6H3,(H,38,45)(H,40,41)(H,42,43)/b25-13-,27-14-
InChIKeyLMLDNIVBTHTSFX-POPOVHIPSA-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 b (CHEBI:137297) is a arenecarbaldehyde (CHEBI:33855)
mycobilin b (CHEBI:137297) is a aromatic ketone (CHEBI:76224)
mycobilin b (CHEBI:137297) is a dicarboxylic acid (CHEBI:35692)
mycobilin b (CHEBI:137297) is a linear tetrapyrrole (CHEBI:25046)
mycobilin b (CHEBI:137297) is conjugate acid of mycobilin b(2−) (CHEBI:136508)
Incoming Relation(s)
mycobilin b(2−) (CHEBI:136508) is conjugate base of mycobilin b (CHEBI:137297)
Manual XrefsDatabases
CPD-19715MetaCyc
Citations