CHEBI:222178 - Nocobactin NA 10152A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Nocobactin NA 10152A
ChEBI ID CHEBI:222178
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C36H53N5O10
Net Charge 0
Average Mass 715.845
Monoisotopic Mass 715.37924
InChI InChI=1S/C36H53N5O10/c1-5-6-7-8-9-20-30(23(2)32(44)37-27-17-12-15-22-41(49)35(27)46)51-36(47)28(18-13-14-21-40(48)25(4)42)38-33(45)31-24(3)50-34(39-31)26-16-10-11-19-29(26)43/h10-11,16,19,23,27-28,30,43,48-49H,5-9,12-15,17-18,20-22H2,1-4H3,(H,37,44)(H,38,45)/t23-,27-,28+,30+/m1/s1
InChIKey YOKHMQIESLOQMH-WAXSWYNISA-N
SMILES O=C1N(O)CCCC[C@H]1NC(=O)[C@@H]([C@@H](OC(=O)[C@@H](NC(=O)C=2N=C(C3=C(O)C=CC=C3)OC2C)CCCCN(O)C(=O)C)CCCCCCC)C
Metabolite of Species Details
Nocardia asteroides (NCBI:txid1824) See: PubMed
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 Nocobactin NA 10152A (CHEBI:222178) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name
[(2R,3S)-1-[[(3R)-1-hydroxy-2-oxoazepan-3-yl]amino]-2-methyl-1-oxodecan-3-yl] (2S)-6-[acetyl(hydroxy)amino]-2-[[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]amino]hexanoate