CHEBI:209482 - Tiahuramide C

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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 Tiahuramide C
ChEBI ID CHEBI:209482
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H64N4O8
Net Charge 0
Average Mass 740.983
Monoisotopic Mass 740.47242
InChI InChI=1S/C41H64N4O8/c1-11-13-15-22-31-28(8)36(46)42-33(25(3)4)39(49)43(9)34(26(5)6)40(50)53-32(24-29-19-16-14-17-20-29)38(48)45-23-18-21-30(45)37(47)44(10)35(27(7)12-2)41(51)52-31/h14,16-17,19-20,25-28,30-35H,11-13,15,18,21-24H2,1-10H3,(H,42,46)/t27-,28-,30-,31+,32-,33-,34-,35-/m0/s1
InChIKey XLHASFYAUGQJAG-YYUBPKKPSA-N
SMILES O=C1O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N([C@@H](C(C)C)C(O[C@H](C(N2[C@H](C(N([C@H]1[C@H](CC)C)C)=O)CCC2)=O)CC3=CC=CC=C3)=O)C)C(C)C)C)CCCCC
Metabolite of Species Details
Lyngbya majuscula (NCBI:txid158786) 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 Tiahuramide C (CHEBI:209482) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6S,9S,12S,13R,16S,19S)-3-benzyl-16-[(2S)-butan-2-yl]-7,12,17-trimethyl-13-pentyl-6,9-di(propan-2-yl)-4,14-dioxa-1,7,10,17-tetrazabicyclo[17.3.0]docosane-2,5,8,11,15,18-hexone
Manual Xref Database
65791027 ChemSpider
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