CHEBI:221055 - Polyoxypeptin

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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 Polyoxypeptin
ChEBI ID CHEBI:221055
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C45H76N8O15
Net Charge 0
Average Mass 969.144
Monoisotopic Mass 968.54301
InChI InChI=1S/C45H76N8O15/c1-11-25(7)20-27-15-16-45(64,68-31(27)12-2)44(10,63)42(61)48-32-34(24(5)6)67-41(60)33(23(3)4)53(66)40(59)35-43(9,62)17-19-49(35)37(56)30-21-28(54)22-47-51(30)36(55)26(8)52(65)38(57)29-14-13-18-46-50(29)39(32)58/h23-35,46-47,54,62-66H,11-22H2,1-10H3,(H,48,61)/t25-,26-,27+,28+,29+,30+,31+,32-,33-,34-,35+,43+,44+,45+/m0/s1
InChIKey IHVXCLXQTOSBMJ-FINQWCIQSA-N
SMILES O=C1O[C@H]([C@H](NC(=O)[C@@](O)([C@@]2(O[C@@H]([C@@H](C[C@H](CC)C)CC2)CC)O)C)C(=O)N3NCCC[C@@H]3C(=O)N(O)[C@@H](C)C(N4[C@@H](C(N5[C@H](C(N([C@H]1C(C)C)O)=O)[C@](O)(CC5)C)=O)C[C@@H](O)CN4)=O)C(C)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) 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 Polyoxypeptin (CHEBI:221055) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2S)-2-[(2R,5R,6R)-6-ethyl-2-hydroxy-5-[(2S)-2-methylbutyl]oxan-2-yl]-2-hydroxy-N-[(1R,6R,7S,10S,13S,14S,21R,24S,29R)-6,9,23,29-tetrahydroxy-6,24-dimethyl-2,8,11,15,22,25-hexaoxo-10,13-di(propan-2-yl)-12-oxa-3,9,16,17,23,26,27-heptazatetracyclo[24.4.0.03,7.016,21]triacontan-14-yl]propanamide
Manual Xref Database
9161086 ChemSpider
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