CHEBI:212642 - Fellutamide B

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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 Fellutamide B
ChEBI ID CHEBI:212642
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H49N5O7
Net Charge 0
Average Mass 555.717
Monoisotopic Mass 555.36320
InChI InChI=1S/C27H49N5O7/c1-4-5-6-7-8-9-10-11-20(34)15-25(37)31-22(16-24(29)36)27(39)32-21(12-13-23(28)35)26(38)30-19(17-33)14-18(2)3/h17-22,34H,4-16H2,1-3H3,(H2,28,35)(H2,29,36)(H,30,38)(H,31,37)(H,32,39)/t19-,20+,21-,22-/m0/s1
InChIKey MFXAGCQVWGPEJH-LRSLUSHPSA-N
SMILES O=C(N[C@H](C(=O)N[C@H](C=O)CC(C)C)CCC(=O)N)[C@@H](NC(=O)C[C@H](O)CCCCCCCCC)CC(=O)N
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: DOI
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 Fellutamide B (CHEBI:212642) is a dipeptide (CHEBI:46761)
IUPAC Name
(2S)-2-[[(2S)-4-amino-2-[[(3R)-3-hydroxydodecanoyl]amino]-4-oxobutanoyl]amino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanediamide
Manual Xref Database
8004880 ChemSpider
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