CHEBI:223138 - Pentaminomycin C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Pentaminomycin C
ChEBI ID CHEBI:223138
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H51N9O6
Net Charge 0
Average Mass 717.872
Monoisotopic Mass 717.39623
InChI InChI=1S/C37H51N9O6/c1-21(2)17-28-35(50)45-31(22(3)4)36(51)44-30(19-24-20-40-26-14-9-8-13-25(24)26)34(49)41-27(15-10-16-46(52)37(38)39)32(47)43-29(33(48)42-28)18-23-11-6-5-7-12-23/h5-9,11-14,20-22,27-31,40,52H,10,15-19H2,1-4H3,(H3,38,39)(H,41,49)(H,42,48)(H,43,47)(H,44,51)(H,45,50)/t27-,28-,29+,30-,31+/m0/s1
InChIKey CWPJDJNWWFRWOO-XVEIJSAGSA-N
SMILES O=C1N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(N[C@H](C(N[C@@H]1C(C)C)=O)CC(C)C)=O)CC2=CC=CC=C2)CCCN(O)C(=N)N)CC=3C4=C(C=CC=C4)NC3
Metabolite of Species Details
Streptomyces (NCBI:txid1883) 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 Pentaminomycin C (CHEBI:223138) is a oligopeptide (CHEBI:25676)
IUPAC Name
1-[3-[(2S,5R,8S,11R,14S)-5-benzyl-14-(1H-indol-3-ylmethyl)-8-(2-methylpropyl)-3,6,9,12,15-pentaoxo-11-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-1-hydroxyguanidine