CHEBI:212766 - [b-MePro] destruxin E chlorohydrin

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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 [b-MePro] destruxin E chlorohydrin
ChEBI ID CHEBI:212766
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H50ClN5O8
Net Charge 0
Average Mass 644.210
Monoisotopic Mass 643.33479
InChI InChI=1S/C30H50ClN5O8/c1-9-17(4)23-29(42)35(8)24(16(2)3)30(43)34(7)19(6)26(39)32-12-10-22(38)44-21(14-20(37)15-31)28(41)36-13-11-18(5)25(36)27(40)33-23/h16-21,23-25,37H,9-15H2,1-8H3,(H,32,39)(H,33,40)/t17?,18-,19-,20-,21?,23-,24-,25-/m0/s1
InChIKey QWYNOTGFLNERCP-IRDIRMKXSA-N
SMILES ClC[C@@H](O)CC1OC(=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(CC)C)=O)C)C(C)C)C)C
Metabolite of Species Details
Beauveria felina (NCBI:txid37994) 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 [b-MePro] destruxin E chlorohydrin (CHEBI:212766) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(10S,13S,16S,19S,20S)-16-butan-2-yl-3-[(2S)-3-chloro-2-hydroxypropyl]-10,11,14,20-tetramethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Manual Xref Database
10481537 ChemSpider
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