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CHEBI:222426 - L-156,602

ChEBI IDCHEBI:222426
ChEBI NameL-156,602
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H64N8O13
Net Charge0
Average Mass840.973
Monoisotopic Mass840.45928
SMILESCC[C@H](C)C[C@H]1CC[C@](O)([C@](C)(O)C(=O)N[C@@H]2C(=O)N3NCCC[C@@H]3C(=O)N(O)[C@@H](C)C(=O)NCC(=O)N3NCCC[C@H]3C(=O)N(O)[C@H](C)C(=O)O[C@H]2C(C)C)O[C@@H]1C
InChIInChI=1S/C38H64N8O13/c1-9-21(4)18-25-14-15-38(55,59-24(25)7)37(8,54)36(53)42-29-30(20(2)3)58-35(52)23(6)46(57)32(49)26-12-10-16-40-43(26)28(47)19-39-31(48)22(5)45(56)33(50)27-13-11-17-41-44(27)34(29)51/h20-27,29-30,40-41,54-57H,9-19H2,1-8H3,(H,39,48)(H,42,53)/t21-,22-,23+,24+,25+,26-,27+,29-,30-,37+,38+/m0/s1
InChIKeyZJZOPNINWIGNQW-SYYWPETLSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (2010362)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
L-156,602 (CHEBI:222426) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-N-[(6S,9R,16S,17S,20R,23S)-7,21-dihydroxy-6,20-dimethyl-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacosan-16-yl]-2-hydroxy-2-[(2R,5R,6R)-2-hydroxy-6-methyl-5-[(2S)-2-methylbutyl]oxan-2-yl]propanamide
Manual XrefsDatabases
24651911ChemSpider