CHEBI:224998 - Lucentamycin 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 Lucentamycin C
ChEBI ID CHEBI:224998
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H46N6O5
Net Charge 0
Average Mass 522.691
Monoisotopic Mass 522.35297
InChI InChI=1S/C26H46N6O5/c1-7-18-14-32(22(17(18)6)23(34)31-20(25(36)37)12-15(2)3)24(35)19(30-21(33)13-16(4)5)10-8-9-11-29-26(27)28/h7,15-17,19-20,22H,8-14H2,1-6H3,(H,30,33)(H,31,34)(H,36,37)(H4,27,28,29)/b18-7-/t17-,19+,20+,22?/m1/s1
InChIKey CFMSJNQJYUHRGU-KJPCRPCSSA-N
SMILES O=C(N[C@H](C(=O)O)CC(C)C)C1N(C(=O)[C@@H](NC(=O)CC(C)C)CCCCNC(=N)N)C\C(\[C@H]1C)=C\C
Metabolite of Species Details
Nocardiopsis lucentensis (NCBI:txid53441) 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 Lucentamycin C (CHEBI:224998) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(3R,4E)-1-[(2S)-6-(diaminomethylideneamino)-2-(3-methylbutanoylamino)hexanoyl]-4-ethylidene-3-methylpyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid