CHEBI:223613 - Ulleungamide C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Ulleungamide C
ChEBI ID CHEBI:223613
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C50H67N7O13
Net Charge 0
Average Mass 974.122
Monoisotopic Mass 973.47969
InChI InChI=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
InChIKey FMWPSCWFYTWQOJ-QCBHIADPSA-N
SMILES O=C1N2[C@H](C(=O)N3[C@H](C(=O)O[C@@H]([C@H](NC(=O)[C@H](N(C(=O)C[C@H](C(=O)O)C(C)C)C)CC4=CC=CC=C4)C(NCC(N5[C@H](C(N[C@@H]1CC6=CC=CC=C6)=O)C[C@H](O)CC5)=O)=O)C)C[C@@H](O)CC3)CCCC2
Metabolite of Species Details
Streptomycesspecies KCB13F003 (NCBI:txid2052824) 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 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