EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:197966 - Destruxin-A4 chlorohydrin

ChEBI IDCHEBI:197966
ChEBI NameDestruxin-A4 chlorohydrin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50ClN5O8
Net Charge0
Average Mass644.210
Monoisotopic Mass643.33479
SMILESCCC(C)C1NC(=O)[C@@H]2CCCN2C(=O)C(CC(O)CCl)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)CC)N(C)C1=O
InChIInChI=1S/C30H50ClN5O8/c1-8-17(3)24-29(42)35(7)25(18(4)9-2)30(43)34(6)19(5)26(39)32-13-12-23(38)44-22(15-20(37)16-31)28(41)36-14-10-11-21(36)27(40)33-24/h17-22,24-25,37H,8-16H2,1-7H3,(H,32,39)(H,33,40)/t17?,18?,19?,20?,21-,22?,24?,25?/m0/s1
InChIKeyOHKVAKWSVKDPHP-WBSYIQHXSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Destruxin-A4 chlorohydrin (CHEBI:197966) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(19S)-13,16-di(butan-2-yl)-3-(3-chloro-2-hydroxypropyl)-10,11,14-trimethyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Manual XrefsDatabases
78445011ChemSpider