CHEBI:217221 - Xenolindicin A

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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 Xenolindicin A
ChEBI ID CHEBI:217221
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H73N9O14
Net Charge 0
Average Mass 916.084
Monoisotopic Mass 915.52770
InChI InChI=1S/C41H73N9O14/c1-3-4-5-6-7-8-9-10-11-12-13-17-33(55)45-27(18-20-31(43)53)37(59)48-29(23-32(44)54)39(61)49-30(24-51)40(62)46-26(16-14-15-22-42)36(58)47-28(19-21-34(56)57)38(60)50-35(25(2)52)41(63)64/h25-30,35,51-52H,3-24,42H2,1-2H3,(H2,43,53)(H2,44,54)(H,45,55)(H,46,62)(H,47,58)(H,48,59)(H,49,61)(H,50,60)(H,56,57)(H,63,64)/t25-,26-,27-,28+,29+,30-,35+/m1/s1
InChIKey HSRLMPGKYRPQOD-VHJPVKFDSA-N
SMILES O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CCCCCCCCCCCCC)CCC(=O)N)CC(=O)N)CO)CCCCN)CCC(=O)O)[C@H](O)C
Metabolite of Species Details
Xenorhabdusspecies (NCBI:txid51785) 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 )
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ChEBI Ontology
Outgoing Xenolindicin A (CHEBI:217221) is a peptide (CHEBI:16670)
IUPAC Name
(4S)-4-[[(2R)-6-amino-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2R)-5-amino-5-oxo-2-(tetradecanoylamino)pentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-5-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-5-oxopentanoic acid
Manual Xref Database
78440270 ChemSpider
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