CHEBI:203307 - Polyoxypeptin B

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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 B
ChEBI ID CHEBI:203307
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C45H76N8O14
Net Charge 0
Average Mass 953.145
Monoisotopic Mass 952.54810
InChI InChI=1S/C45H76N8O14/c1-11-26(7)23-28-17-18-45(63,67-31(28)12-2)44(10,62)42(60)48-32-34(25(5)6)66-41(59)33(24(3)4)53(65)40(58)35-43(9,61)19-22-49(35)37(55)29-15-13-20-46-50(29)36(54)27(8)52(64)38(56)30-16-14-21-47-51(30)39(32)57/h24-35,46-47,61-65H,11-23H2,1-10H3,(H,48,60)/t26-,27+,28+,29+,30+,31+,32-,33-,34-,35+,43+,44+,45+/m0/s1
InChIKey SJECZDQCXSPZOK-SAYJIOBQSA-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)CCCN4)=O)C(C)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) 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 Polyoxypeptin B (CHEBI:203307) 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,24R)-6,9,23-trihydroxy-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
8616325 ChemSpider
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