CHEBI:216077 - Wewakamide 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 Wewakamide A
ChEBI ID CHEBI:216077
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C53H86N8O10
Net Charge 0
Average Mass 995.317
Monoisotopic Mass 994.64669
InChI InChI=1S/C53H86N8O10/c1-17-33(10)43-48(65)57-42(31(6)7)47(64)54-35(12)34(11)45(62)55-38(26-29(2)3)46(63)56-39(28-37-22-19-18-20-23-37)53(70)71-44(32(8)9)52(69)61-25-21-24-40(61)50(67)58(14)36(13)49(66)59(15)41(27-30(4)5)51(68)60(43)16/h18-20,22-23,29-36,38-44H,17,21,24-28H2,1-16H3,(H,54,64)(H,55,62)(H,56,63)(H,57,65)/t33-,34+,35+,36-,38-,39-,40-,41-,42-,43-,44-/m0/s1
InChIKey QGVOFCJSCWSNCO-POWBWRITSA-N
SMILES O=C1O[C@H](C(=O)N2[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@@H]([C@H](CC)C)C(N[C@H](C(N[C@@H]([C@H](C(N[C@H](C(N[C@H]1CC3=CC=CC=C3)=O)CC(C)C)=O)C)C)=O)C(C)C)=O)C)CC(C)C)C)C)C)CCC2)C(C)C
Metabolite of Species Details
Lyngbya semiplena (NCBI:txid207923) 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 Wewakamide A (CHEBI:216077) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6S,9S,12R,13R,16S,19S,22S,25S,28S)-6-benzyl-19-[(2S)-butan-2-yl]-12,13,20,23,25,26-hexamethyl-9,22-bis(2-methylpropyl)-3,16-di(propan-2-yl)-4-oxa-1,7,10,14,17,20,23,26-octazabicyclo[26.3.0]hentriacontane-2,5,8,11,15,18,21,24,27-nonone
Manual Xref Database
27025623 ChemSpider
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