CHEBI:219567 - Wewakpeptin D

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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 D
ChEBI ID CHEBI:219567
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C54H85N7O11
Net Charge 0
Average Mass 1008.312
Monoisotopic Mass 1007.63071
InChI InChI=1S/C54H85N7O11/c1-15-17-19-28-41-54(10,11)53(70)56-43(34(7)16-2)50(67)58(13)35(8)46(63)57(12)36(9)47(64)59(14)44(33(5)6)52(69)71-40(31-37-24-20-18-21-25-37)49(66)61-30-23-27-39(61)48(65)60-29-22-26-38(60)45(62)55-42(32(3)4)51(68)72-41/h18,20-21,24-25,32-36,38-44H,15-17,19,22-23,26-31H2,1-14H3,(H,55,62)(H,56,70)/t34-,35-,36-,38-,39-,40+,41+,42-,43-,44-/m0/s1
InChIKey UUCAGRLWNLHYHI-WMHQRPKNSA-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](CC2=CC=CC=C2)C(N3[C@H](C(N4[C@H](C(N[C@H](C(O[C@@H](C1(C)C)CCCCC)=O)C(C)C)=O)CCC4)=O)CCC3)=O)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 D (CHEBI:219567) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,9R,12S,15S,18S,21S,25R,28S,31S)-9-benzyl-21-[(2S)-butan-2-yl]-13,15,16,18,19,24,24-heptamethyl-25-pentyl-12,28-di(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
9609508 ChemSpider
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