CHEBI:31870 - Mycobactin S

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Mycobactin S
ChEBI ID CHEBI:31870
Stars This entity has been manually annotated by a third party.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C44H69N5O10
Net Charge 0
Average Mass 828.048
Monoisotopic Mass 827.50444
InChI InChI=1S/C44H69N5O10/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28-40(52)48(56)29-22-21-26-36(46-41(53)37-32-58-42(47-37)34-24-18-19-27-38(34)50)44(55)59-33(2)31-39(51)45-35-25-20-23-30-49(57)43(35)54/h17-19,24,27-28,33,35-37,50,56-57H,3-16,20-23,25-26,29-32H2,1-2H3,(H,45,51)(H,46,53)/b28-17+
InChIKey DQMISKWZRFJSGS-OGLMXYFKSA-N
SMILES CCCCCCCCCCCCCCC\C=C\C(=O)N(O)CCCCC(NC(=O)C1COC(=N1)c1ccccc1O)C(=O)OC(C)CC(=O)NC1CCCCN(O)C1=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Mycobactin S (CHEBI:31870) is a depsipeptide (CHEBI:23643)
Synonym Source
Mycobactin S KEGG COMPOUND
Manual Xref Database
C12216 KEGG COMPOUND
View more database links
Registry Number Type Source
26769-11-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014