EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:206264 - Oxachelin C

ChEBI IDCHEBI:206264
ChEBI NameOxachelin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H39N7O12
Net Charge0
Average Mass653.646
Monoisotopic Mass653.26567
SMILESN[C@@H](OCC(=O)c1ccccc1O)C(=O)N[C@@H](CO)C(=O)N[C@H](CCCN(O)C=O)C(=O)NCCC(=O)N[C@@H]1CCCN(O)C1=O
InChIInChI=1S/C27H39N7O12/c28-23(46-14-21(38)16-5-1-2-8-20(16)37)26(42)32-19(13-35)25(41)31-17(6-3-11-33(44)15-36)24(40)29-10-9-22(39)30-18-7-4-12-34(45)27(18)43/h1-2,5,8,15,17-19,23,35,37,44-45H,3-4,6-7,9-14,28H2,(H,29,40)(H,30,39)(H,31,41)(H,32,42)/t17-,18-,19+,23+/m1/s1
InChIKeyOPVRKWLOIXOCFZ-GBPOLFSSSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies RM-14-6 (ncbitaxon:1353416) - PubMed (28029795)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Oxachelin C (CHEBI:206264) is a peptide (CHEBI:16670)
IUPAC Name 
(2R)-2-[[(2S)-2-[[(2S)-2-amino-2-[2-(2-hydroxyphenyl)-2-oxoethoxy]acetyl]amino]-3-hydroxypropanoyl]amino]-5-[ormyl(hydroxy)amino]-N-[3-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-3-oxopropyl]pentanamide
Manual XrefsDatabases
78440538ChemSpider