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CHEBI:223872 - Carboxymycobactin-6

ChEBI IDCHEBI:223872
ChEBI NameCarboxymycobactin-6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H61N5O12
Net Charge0
Average Mass815.962
Monoisotopic Mass815.43167
SMILESCCC(OC(=O)C(CCCCN(O)C(=O)/C=C\CCCCCCCCC(=O)O)NC(=O)C1N=C(c2ccccc2O)OC1C)C(C)C(=O)NC1CCCCN(O)C1=O
InChIInChI=1S/C41H61N5O12/c1-4-33(27(2)37(51)42-30-20-15-18-26-46(56)40(30)53)58-41(54)31(43-38(52)36-28(3)57-39(44-36)29-19-13-14-22-32(29)47)21-16-17-25-45(55)34(48)23-11-9-7-5-6-8-10-12-24-35(49)50/h11,13-14,19,22-23,27-28,30-31,33,36,47,55-56H,4-10,12,15-18,20-21,24-26H2,1-3H3,(H,42,51)(H,43,52)(H,49,50)/b23-11-
InChIKeyBYSSOXZYTLAFLQ-KSEXSDGBSA-N
Species of MetaboliteComponentSourceComments
Mycobacterium avium (ncbitaxon:1764) - DOI (10.1016/0040-4039(95)00676-4)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Carboxymycobactin-6 (CHEBI:223872) is a depsipeptide (CHEBI:23643)
IUPAC Name 
(Z)-12-[hydroxy-[6-[1-[(1-hydroxy-2-oxoazepan-3-yl)amino]-2-methyl-1-oxopentan-3-yl]oxy-5-[[2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]-6-oxohexyl]amino]-12-oxododec-10-enoic acid
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