CHEBI:207561 - Phepropeptin 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 Phepropeptin C
ChEBI ID CHEBI:207561
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H60N6O6
Net Charge 0
Average Mass 696.934
Monoisotopic Mass 696.45743
InChI InChI=1S/C38H60N6O6/c1-9-25(8)32-37(49)41-28(19-23(4)5)34(46)42-30(21-26-14-11-10-12-15-26)38(50)44-17-13-16-31(44)36(48)40-27(18-22(2)3)33(45)39-29(20-24(6)7)35(47)43-32/h10-12,14-15,22-25,27-32H,9,13,16-21H2,1-8H3,(H,39,45)(H,40,48)(H,41,49)(H,42,46)(H,43,47)/t25?,27-,28-,29+,30+,31+,32-/m0/s1
InChIKey AKQUYKYHJPCGHJ-OMPYVEQSSA-N
SMILES O=C1N2[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(N[C@H](C(N[C@@H]1CC3=CC=CC=C3)=O)CC(C)C)=O)C(CC)C)CC(C)C)CC(C)C)CCC2
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 Phepropeptin C (CHEBI:207561) is a oligopeptide (CHEBI:25676)
IUPAC Name
(3R,6S,9S,12R,15S,18R)-3-benzyl-9-butan-2-yl-6,12,15-tris(2-methylpropyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
Manual Xref Database
78437893 ChemSpider
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