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CHEBI:219462 - Ulleungamide B

ChEBI IDCHEBI:219462
ChEBI NameUlleungamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H67N7O14
Net Charge0
Average Mass1002.132
Monoisotopic Mass1001.47460
SMILESCC(C)[C@H](CC(=O)N(C)[C@H](Cc1ccccc1)C(=O)N[C@@H]1C(=O)NCC(=O)N2CC[C@@H](O)C[C@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC[C@H]2C(=O)N2C(=C[C@@H](O)[C@@H](O)[C@@H]2C)C(=O)O[C@@H]1C)C(=O)O
InChIInChI=1S/C51H67N7O14/c1-28(2)34(50(69)70)25-41(61)55(5)37(23-32-16-10-7-11-17-32)45(64)54-43-30(4)72-51(71)39-26-40(60)44(63)29(3)58(39)49(68)36-18-12-13-20-57(36)48(67)35(22-31-14-8-6-9-15-31)53-46(65)38-24-33(59)19-21-56(38)42(62)27-52-47(43)66/h6-11,14-17,26,28-30,33-38,40,43-44,59-60,63H,12-13,18-25,27H2,1-5H3,(H,52,66)(H,53,65)(H,54,64)(H,69,70)/t29-,30+,33+,34-,35+,36-,37+,38-,40+,43-,44-/m0/s1
InChIKeyYFKVTEVQXHWJGL-KZLZXRLPSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies KCB13F003 (ncbitaxon:2052824) - PubMed (26262430)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ulleungamide B (CHEBI:219462) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-4-[[(2R)-1-[[(3S,10R,13S,15R,23S,24R,29R,30S,31S)-10-benzyl-15,29,30-trihydroxy-24,31-dimethyl-2,9,12,19,22,26-hexaoxo-25-oxa-1,8,11,18,21-pentazatetracyclo[25.4.0.03,8.013,18]hentriacont-27-en-23-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-4-oxo-2-propan-2-ylbutanoic acid
Manual XrefsDatabases
78439866ChemSpider