CHEBI:207845 - Dudawalamide B

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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 Dudawalamide B
ChEBI ID CHEBI:207845
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H59N5O8
Net Charge 0
Average Mass 785.983
Monoisotopic Mass 785.43636
InChI InChI=1S/C44H59N5O8/c1-10-11-13-20-36-44(5,6)43(55)46-37(28(2)3)41(53)48(8)35(27-30-17-14-12-15-18-30)40(52)49-25-16-19-33(49)39(51)47(7)34(38(50)45-29(4)42(54)57-36)26-31-21-23-32(56-9)24-22-31/h1,12,14-15,17-18,21-24,28-29,33-37H,11,13,16,19-20,25-27H2,2-9H3,(H,45,50)(H,46,55)/t29-,33-,34-,35-,36-,37-/m0/s1
InChIKey HJYCXTGQLGFPMU-CKCVZSQNSA-N
SMILES O=C1N[C@H](C(=O)N([C@H](C(=O)N2[C@H](C(=O)N([C@H](C(N[C@H](C(O[C@H](C1(C)C)CCCC#C)=O)C)=O)CC3=CC=C(OC)C=C3)C)CCC2)CC4=CC=CC=C4)C)C(C)C
Metabolite of Species Details
Moorena producens (NCBI:txid1155739) 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 Dudawalamide B (CHEBI:207845) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6S,10S,13S,16S,19S)-3-benzyl-16-[(4-methoxyphenyl)methyl]-4,9,9,13,17-pentamethyl-10-pent-4-ynyl-6-propan-2-yl-11-oxa-1,4,7,14,17-pentazabicyclo[17.3.0]docosane-2,5,8,12,15,18-hexone
Manual Xref Database
61708705 ChemSpider
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