CHEBI:203673 - Wewakpeptin 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 Wewakpeptin A
ChEBI ID CHEBI:203673
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C52H85N7O11
Net Charge 0
Average Mass 984.290
Monoisotopic Mass 983.63071
InChI InChI=1S/C52H85N7O11/c1-18-20-21-26-37-52(13,14)51(68)54-39(33(11)19-2)46(63)55(15)34(12)44(61)56(16)40(30(5)6)47(64)57(17)41(31(7)8)50(67)70-42(32(9)10)48(65)59-28-23-25-36(59)45(62)58-27-22-24-35(58)43(60)53-38(29(3)4)49(66)69-37/h1,29-42H,19-28H2,2-17H3,(H,53,60)(H,54,68)/t33-,34-,35-,36-,37+,38-,39-,40-,41-,42-/m0/s1
InChIKey ZADWIGJGAWOIKB-RCNMYSQZSA-N
SMILES O=C1N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)O[C@@H](C(C)C)C(N2[C@H](C(N3[C@H](C(N[C@H](C(O[C@@H](C1(C)C)CCCC#C)=O)C(C)C)=O)CCC3)=O)CCC2)=O)C(C)C)C)C(C)C)C)C)C)[C@H](CC)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 Wewakpeptin A (CHEBI:203673) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,9S,12S,15S,18S,21S,25R,28S,31S)-21-[(2S)-butan-2-yl]-13,16,18,19,24,24-hexamethyl-25-pent-4-ynyl-9,12,15,28-tetra(propan-2-yl)-10,26-dioxa-1,7,13,16,19,22,29-heptazatricyclo[29.3.0.03,7]tetratriacontane-2,8,11,14,17,20,23,27,30-nonone
Manual Xref Database
9380429 ChemSpider
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