CHEBI:189272 - Rhodopeptin C1

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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 Rhodopeptin C1
ChEBI ID CHEBI:189272
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H47N5O4
Net Charge 0
Average Mass 481.682
Monoisotopic Mass 481.36281
InChI InChI=1S/C25H47N5O4/c1-5-18(4)11-8-6-7-9-12-19-15-21(31)27-16-22(32)29-20(13-10-14-26)24(33)30-23(17(2)3)25(34)28-19/h17-20,23H,5-16,26H2,1-4H3,(H,27,31)(H,28,34)(H,29,32)(H,30,33)/t18?,19?,20-,23-/m0/s1
InChIKey BCORRXOGBNOQQU-NWEKGRFWSA-N
SMILES O=C1NC(CCCCCCC(CC)C)CC(=O)NCC(=O)N[C@H](C(=O)N[C@H]1C(C)C)CCCN
Metabolite of Species Details
Rhodococcus (NCBI:txid1827) See: PubMed
Arabidopsis thaliana (NCBI:txid3702) Found in leaf (BTO:0000713). See: MetaboLights Study
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 Rhodopeptin C1 (CHEBI:189272) is a cyclic peptide (CHEBI:23449)
IUPAC Names
(3S,6S)-6-(3-aminopropyl)-13-(7-methylnonyl)-3-propan-2-yl-1,4,7,10-tetrazacyclotridecane-2,5,8,11-tetrone
(3S,6S,13R)-6-(3-aminopropyl)-13-(7-methylnonyl)-3-propan-2-yl-1,4,7,10-tetrazacyclotridecane-2,5,8,11-tetrone
Manual Xrefs Databases
425254 ChemSpider
78436327 ChemSpider
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