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CHEBI:202780 - Biphenomycin C

ChEBI IDCHEBI:202780
ChEBI NameBiphenomycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H45N9O11
Net Charge0
Average Mass731.764
Monoisotopic Mass731.32385
SMILESNC[C@H](O)C[C@@H]1NC(=O)[C@@H](N)Cc2cc(ccc2O)-c2ccc(O)c(c2)[C@@H](O)[C@@H](C(=O)NC(CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)O)NC1=O
InChIInChI=1S/C32H45N9O11/c33-12-17(43)11-21-29(49)41-25(30(50)38-20(2-1-7-37-32(35)36)28(48)40-22(13-42)31(51)52)26(46)18-9-15(4-6-24(18)45)14-3-5-23(44)16(8-14)10-19(34)27(47)39-21/h3-6,8-9,17,19-22,25-26,42-46H,1-2,7,10-13,33-34H2,(H,38,50)(H,39,47)(H,40,48)(H,41,49)(H,51,52)(H4,35,36,37)/t17-,19+,20?,21+,22+,25+,26-/m1/s1
InChIKeyKSORASLRRSMSMP-UKOLREMNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8436546)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Biphenomycin C (CHEBI:202780) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[2-[[(7R,8S,11S,14S)-14-amino-11-[(2R)-3-amino-2-hydroxypropyl]-5,7,17-trihydroxy-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoic acid
Manual XrefsDatabases
78439645ChemSpider