CHEBI:219462 - Ulleungamide B

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 B
ChEBI ID CHEBI:219462
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C51H67N7O14
Net Charge 0
Average Mass 1002.132
Monoisotopic Mass 1001.47460
InChI InChI=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
InChIKey YFKVTEVQXHWJGL-KZLZXRLPSA-N
SMILES O=C1O[C@@H]([C@H](NC(=O)[C@H](N(C(=O)C[C@H](C(=O)O)C(C)C)C)CC2=CC=CC=C2)C(=O)NCC(=O)N3[C@@H](C[C@H](O)CC3)C(N[C@@H](C(N4[C@H](C(N5C1=C[C@@H](O)[C@H]([C@@H]5C)O)=O)CCCC4)=O)CC6=CC=CC=C6)=O)C
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 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 Xref Database
78439866 ChemSpider
View more database links