CHEBI:204890 - Taxlllaid 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 Taxlllaid D
ChEBI ID CHEBI:204890
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C43H69N7O9
Net Charge 0
Average Mass 828.065
Monoisotopic Mass 827.51568
InChI InChI=1S/C43H69N7O9/c1-23(2)17-18-35(51)50-36-29(11)59-43(58)28(10)45-38(53)31(19-24(3)4)47-39(54)32(20-25(5)6)48-40(55)33(21-26(7)8)49-41(56)34(22-30-15-13-12-14-16-30)46-37(52)27(9)44-42(36)57/h12-16,23-29,31-34,36H,17-22H2,1-11H3,(H,44,57)(H,45,53)(H,46,52)(H,47,54)(H,48,55)(H,49,56)(H,50,51)/t27-,28-,29+,31-,32+,33+,34-,36-/m0/s1
InChIKey ZXDPIOZVFRMFBK-WRWGTOLFSA-N
SMILES O=C1O[C@@H]([C@H](NC(=O)CCC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(N[C@@H](C(N[C@H](C(N[C@H]1C)=O)CC(C)C)=O)CC(C)C)=O)CC(C)C)CC2=CC=CC=C2)C)C
Metabolite of Species Details
Xenorhabdus indica (NCBI:txid333964) 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 )
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ChEBI Ontology
Outgoing Taxlllaid D (CHEBI:204890) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
N-[(3S,6S,9R,12R,15S,18S,21S,22R)-15-benzyl-3,18,22-trimethyl-6,9,12-tris(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-4-methylpentanamide
Manual Xref Database
78442596 ChemSpider
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