CHEBI:214603 - Streptodepsipeptide P11A

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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 Streptodepsipeptide P11A
ChEBI ID CHEBI:214603
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C53H88N6O18
Net Charge 0
Average Mass 1097.311
Monoisotopic Mass 1096.61551
InChI InChI=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
InChIKey ZMGZZSSDOZLMJH-BZGBRNSDSA-N
SMILES O=C1O[C@@H](C(=O)N[C@@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@H](C(=O)O[C@H](C(N[C@H](C(O[C@@H](C(N[C@@H](C(O[C@H](C(N[C@@H]1C(C)C)=O)C)=O)C(C)C)=O)C(C)C)=O)C(C)C)=O)C)C(C)C)CC)C(C)C)C)C(C)C)C(C)C
Metabolite of Species Details
Streptomycesspecies P11-23B (NCBI:txid1740610) 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 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 Xref Database
62934194 ChemSpider
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