CHEBI:209442 - Trichomide 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 Trichomide D
ChEBI ID CHEBI:209442
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H52ClN5O8
Net Charge 0
Average Mass 658.230
Monoisotopic Mass 657.35044
InChI InChI=1S/C31H52ClN5O8/c1-9-17(3)24-30(43)36(8)26(18(4)10-2)31(44)35(7)20(6)27(40)33-13-11-23(39)45-22(15-21(38)16-32)29(42)37-14-12-19(5)25(37)28(41)34-24/h17-22,24-26,38H,9-16H2,1-8H3,(H,33,40)(H,34,41)/t17-,18-,19-,20-,21-,22+,24-,25-,26-/m0/s1
InChIKey YLJGPZCOGZACRT-DPSFEFNXSA-N
SMILES ClC[C@@H](O)C[C@H]1OC(=O)CCNC(=O)[C@@H](N(C(=O)[C@@H](N(C([C@@H](NC([C@H]2N(C1=O)CC[C@@H]2C)=O)[C@H](CC)C)=O)C)[C@H](CC)C)C)C
Metabolite of Species Details
Trichothecium roseum (NCBI:txid47278) 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 Trichomide D (CHEBI:209442) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3R,10S,13S,16S,19S,20S)-13,16-bis[(2S)-butan-2-yl]-3-[(2S)-3-chloro-2-hydroxypropyl]-10,11,14,20-tetramethyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Manual Xref Database
71048457 ChemSpider
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