EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:214603 - Streptodepsipeptide P11A

ChEBI IDCHEBI:214603
ChEBI NameStreptodepsipeptide P11A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H88N6O18
Net Charge0
Average Mass1097.311
Monoisotopic Mass1096.61551
SMILESCC[C@H]1OC(=O)[C@H](C(C)C)NC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)OC(=O)[C@@H](C(C)C)NC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](C)OC(=O)[C@H](C(C)C)NC1=O
InChIInChI=1S/C53H88N6O18/c1-21-33-45(63)57-34(22(2)3)48(66)72-31(19)43(61)55-38(26(10)11)52(70)76-41(29(16)17)47(65)59-36(24(6)7)50(68)74-32(20)44(62)56-39(27(12)13)53(71)77-40(28(14)15)46(64)58-35(23(4)5)49(67)73-30(18)42(60)54-37(25(8)9)51(69)75-33/h22-41H,21H2,1-20H3,(H,54,60)(H,55,61)(H,56,62)(H,57,63)(H,58,64)(H,59,65)/t30-,31-,32-,33+,34-,35+,36+,37-,38-,39+,40+,41+/m0/s1
InChIKeyZMGZZSSDOZLMJH-BZGBRNSDSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies P11-23B (ncbitaxon:1740610) - PubMed (28049552)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Streptodepsipeptide P11A (CHEBI:214603) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-6-ethyl-12,24,36-trimethyl-3,9,15,18,21,27,30,33-octa(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
Manual XrefsDatabases
62934194ChemSpider