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CHEBI:224960 - Chitinovorin B

ChEBI IDCHEBI:224960
ChEBI NameChitinovorin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48N10O12S
Net Charge0
Average Mass772.839
Monoisotopic Mass772.31739
SMILESCN[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)[C@H](O)CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@](NC=O)(NC(=O)CCC[C@@H](N)C(=O)O)[C@H]2SC1
InChIInChI=1S/C30H48N10O12S/c1-14(34-3)23(45)37-15(2)24(46)38-18(7-5-9-35-29(32)33)19(42)10-21(44)52-11-16-12-53-28-30(36-13-41,27(51)40(28)22(16)26(49)50)39-20(43)8-4-6-17(31)25(47)48/h13-15,17-19,28,34,42H,4-12,31H2,1-3H3,(H,36,41)(H,37,45)(H,38,46)(H,39,43)(H,47,48)(H,49,50)(H4,32,33,35)/t14-,15-,17+,18-,19+,28+,30+/m0/s1
InChIKeyITVAXTXLGSKAIA-HZQFPLSGSA-N
Species of MetaboliteComponentSourceComments
Flavobacterium (ncbitaxon:237) - PubMed (6549002)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Chitinovorin B (CHEBI:224960) is a peptide (CHEBI:16670)
IUPAC Name 
(6R,7R)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-3-[[(3R,4S)-7-(diaminomethylideneamino)-3-hydroxy-4-[[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]amino]heptanoyl]oxymethyl]-7-ormamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Manual XrefsDatabases
78443270ChemSpider