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CHEBI:223613 - Ulleungamide C

ChEBI IDCHEBI:223613
ChEBI NameUlleungamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H67N7O13
Net Charge0
Average Mass974.122
Monoisotopic Mass973.47969
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)N2CC[C@H](O)C[C@H]2C(=O)O[C@@H]1C)C(=O)O
InChIInChI=1S/C50H67N7O13/c1-29(2)35(49(67)68)27-41(60)54(4)38(24-32-15-9-6-10-16-32)44(62)53-43-30(3)70-50(69)40-26-34(59)19-22-57(40)48(66)37-17-11-12-20-56(37)47(65)36(23-31-13-7-5-8-14-31)52-45(63)39-25-33(58)18-21-55(39)42(61)28-51-46(43)64/h5-10,13-16,29-30,33-40,43,58-59H,11-12,17-28H2,1-4H3,(H,51,64)(H,52,63)(H,53,62)(H,67,68)/t30-,33-,34+,35+,36-,37+,38-,39+,40+,43+/m1/s1
InChIKeyFMWPSCWFYTWQOJ-QCBHIADPSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies KCB13F003 (ncbitaxon:2052824) - PubMed (33208876)
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 C (CHEBI:223613) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-4-[[(2R)-1-[[(3S,10R,13S,15R,23S,24R,27S,29S)-10-benzyl-15,29-dihydroxy-24-methyl-2,9,12,19,22,26-hexaoxo-25-oxa-1,8,11,18,21-pentazatetracyclo[25.4.0.03,8.013,18]hentriacontan-23-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-4-oxo-2-propan-2-ylbutanoic acid