CHEBI:137297 - mycobilin b

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ChEBI Name mycobilin b
ChEBI ID CHEBI:137297
ChEBI ASCII Name mycobilin b
Definition A linear tetrapyrrole obtained by the enzymic degradation of heme by Mycobacterium tuberculosis enzyme MhuD.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information eMolecules:1360357, ZINC000000538471
Download Molfile XML SDF
Formula C34H34N4O7
Net Charge 0
Average Mass 610.658
Monoisotopic Mass 610.24275
InChI InChI=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-
InChIKey LMLDNIVBTHTSFX-POPOVHIPSA-N
SMILES C=1(/C=C/2\NC(=O)C(=C2C=C)C)NC(=C(C1C)CCC(O)=O)/C=C/3\N=C(C(C=4NC(=C(C4C)C=C)C=O)=O)C(=C3CCC(O)=O)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 mycobilin b(2−) (CHEBI:136508) is conjugate base of mycobilin b (CHEBI:137297)
Manual Xref Database
CPD-19715 MetaCyc
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Last Modified
05 June 2017