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CHEBI:219456 - Ulleungamide A

ChEBI IDCHEBI:219456
ChEBI NameUlleungamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H67N7O13
Net Charge0
Average Mass986.133
Monoisotopic Mass985.47969
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(=CC[C@@H](O)[C@@H]2C)C(=O)O[C@@H]1C)C(=O)O
InChIInChI=1S/C51H67N7O13/c1-29(2)35(50(68)69)27-42(61)55(5)39(25-33-16-10-7-11-17-33)45(63)54-44-31(4)71-51(70)38-19-20-41(60)30(3)58(38)49(67)37-18-12-13-22-57(37)48(66)36(24-32-14-8-6-9-15-32)53-46(64)40-26-34(59)21-23-56(40)43(62)28-52-47(44)65/h6-11,14-17,19,29-31,34-37,39-41,44,59-60H,12-13,18,20-28H2,1-5H3,(H,52,65)(H,53,64)(H,54,63)(H,68,69)/t30-,31+,34+,35-,36+,37-,39+,40-,41+,44-/m0/s1
InChIKeyHAEJOGZRLRGRCG-XMGSGPSZSA-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 A (CHEBI:219456) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-4-[[(2R)-1-[[(3S,10R,13S,15R,23S,24R,30R,31S)-10-benzyl-15,30-dihydroxy-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
35517185ChemSpider