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CHEBI:222178 - Nocobactin NA 10152A

ChEBI IDCHEBI:222178
ChEBI NameNocobactin NA 10152A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H53N5O10
Net Charge0
Average Mass715.845
Monoisotopic Mass715.37924
SMILESCCCCCCC[C@H](OC(=O)[C@H](CCCCN(O)C(C)=O)NC(=O)c1nc(-c2ccccc2O)oc1C)[C@@H](C)C(=O)N[C@@H]1CCCCN(O)C1=O
InChIInChI=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
InChIKeyYOKHMQIESLOQMH-WAXSWYNISA-N
Species of MetaboliteComponentSourceComments
Nocardia asteroides (ncbitaxon:1824) - PubMed (4614794)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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