CHEBI:209440 - Piperazimycin C

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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 Piperazimycin C
ChEBI ID CHEBI:209440
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C32H49ClN8O10
Net Charge 0
Average Mass 741.240
Monoisotopic Mass 740.32602
InChI InChI=1S/C32H49ClN8O10/c1-4-18(2)8-6-5-7-9-22-29(48)41-25(10-19(33)13-34-41)30(49)40-24(12-21(44)15-36-40)28(47)38-32(3,17-42)31(50)51-16-26(45)39-23(27(46)37-22)11-20(43)14-35-39/h5-8,18-25,34-36,42-44H,4,9-17H2,1-3H3,(H,37,46)(H,38,47)/b7-5+,8-6+/t18?,19-,20+,21-,22-,23+,24-,25+,32-/m0/s1
InChIKey ZMXLUTHDKBRUFP-PQVQDFRPSA-N
SMILES Cl[C@@H]1CNN2C(=O)[C@@H](NC(=O)[C@@H]3N(NC[C@@H](C3)O)C(=O)COC([C@@](NC([C@H]4N(C([C@H]2C1)=O)NC[C@@H](O)C4)=O)(CO)C)=O)C/C=C/C=C/C(CC)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 )
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ChEBI Ontology
Outgoing Piperazimycin C (CHEBI:209440) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3R,5S,10S,13R,15R,23S,26S,28S)-5-chloro-15,28-dihydroxy-23-(hydroxymethyl)-23-methyl-10-[(2E,4E)-6-methylocta-2,4-dienyl]-21-oxa-1,7,8,11,17,18,24,30-octazatetracyclo[24.4.0.03,8.013,18]triacontane-2,9,12,19,22,25-hexone
Manual Xref Database
17261134 ChemSpider
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