EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:222184 - Nocobactin NA 10152B

ChEBI IDCHEBI:222184
ChEBI NameNocobactin NA 10152B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H57N5O10
Net Charge0
Average Mass743.899
Monoisotopic Mass743.41054
SMILESCCCCCCCCC[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/C38H57N5O10/c1-5-6-7-8-9-10-11-22-32(25(2)34(46)39-29-19-14-17-24-43(51)37(29)48)53-38(49)30(20-15-16-23-42(50)27(4)44)40-35(47)33-26(3)52-36(41-33)28-18-12-13-21-31(28)45/h12-13,18,21,25,29-30,32,45,50-51H,5-11,14-17,19-20,22-24H2,1-4H3,(H,39,46)(H,40,47)/t25-,29-,30+,32+/m1/s1
InChIKeyTUZBABROGPEBNJ-OXYYHEDDSA-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 10152B (CHEBI:222184) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
[(2R,3S)-1-[[(3R)-1-hydroxy-2-oxoazepan-3-yl]amino]-2-methyl-1-oxododecan-3-yl] (2S)-6-[acetyl(hydroxy)amino]-2-[[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]amino]hexanoate