CHEBI:202780 - Biphenomycin C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Biphenomycin C
ChEBI ID CHEBI:202780
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000049833508
Download Molfile XML SDF
Formula C32H45N9O11
Net Charge 0
Average Mass 731.764
Monoisotopic Mass 731.32385
InChI InChI=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
InChIKey KSORASLRRSMSMP-UKOLREMNSA-N
SMILES O=C1N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)O)CO)CCCN=C(N)N)[C@H](O)C2=C(O)C=CC(C3=CC(C[C@@H]1N)=C(O)C=C3)=C2)C[C@@H](O)CN
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
78439645 ChemSpider
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