CHEBI:219456 - Ulleungamide A

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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 A
ChEBI ID CHEBI:219456
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C51H67N7O13
Net Charge 0
Average Mass 986.133
Monoisotopic Mass 985.47969
InChI InChI=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
InChIKey HAEJOGZRLRGRCG-XMGSGPSZSA-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=CC[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 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 Xref Database
35517185 ChemSpider
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