CHEBI:215912 - Destruxin-Ed1

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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 Destruxin-Ed1
ChEBI ID CHEBI:215912
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H51N5O9
Net Charge 0
Average Mass 625.764
Monoisotopic Mass 625.36868
InChI InChI=1S/C30H51N5O9/c1-8-18(4)24-29(42)34(7)25(17(2)3)30(43)33(6)19(5)26(39)31-13-12-23(38)44-22(15-20(37)16-36)28(41)35-14-10-9-11-21(35)27(40)32-24/h17-22,24-25,36-37H,8-16H2,1-7H3,(H,31,39)(H,32,40)/t18?,19?,20?,21-,22+,24?,25?/m0/s1
InChIKey WSFGUSJVLMZWTL-LSGBTAIHSA-N
SMILES O=C1N(C(C(=O)NCCC(=O)O[C@H](CC(O)CO)C(N2[C@H](C(NC(C(N(C1C(C)C)C)=O)C(CC)C)=O)CCCC2)=O)C)C
Metabolite of Species Details
Metarhizium anisopliae (NCBI:txid5530) See: DOI
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 Destruxin-Ed1 (CHEBI:215912) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3R,19S)-16-butan-2-yl-3-(2,3-dihydroxypropyl)-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.4.0]tricosane-2,5,9,12,15,18-hexone
Manual Xref Database
78445678 ChemSpider
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