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CHEBI:218846 - Odilorhabdin NOSO-95C

ChEBI IDCHEBI:218846
ChEBI NameOdilorhabdin NOSO-95C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H101N23O12
Net Charge0
Average Mass1264.551
Monoisotopic Mass1263.80001
SMILESNCCCCNC(=O)[C@H](CCCCN)NC(=O)/C(=C/CCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cncn1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)[C@@H](O)CN
InChIInChI=1S/C54H101N23O12/c55-18-4-1-12-33(62)45(81)75-44(41(79)28-61)52(88)76-43(40(78)27-60)51(87)68-30-42(80)70-37(15-9-22-59)53(89)77-25-11-17-39(77)50(86)74-38(26-32-29-65-31-69-32)49(85)73-35(14-3-6-20-57)47(83)72-36(16-10-24-67-54(63)64)48(84)71-34(13-2-5-19-56)46(82)66-23-8-7-21-58/h16,29,31,33-35,37-41,43-44,78-79H,1-15,17-28,30,55-62H2,(H,65,69)(H,66,82)(H,68,87)(H,70,80)(H,71,84)(H,72,83)(H,73,85)(H,74,86)(H,75,81)(H,76,88)(H4,63,64,67)/b36-16-/t33-,34-,35-,37+,38-,39-,40-,41-,43-,44-/m0/s1
InChIKeyVFODIGMPMDOVDF-SLXJRBCYSA-N
Species of MetaboliteComponentSourceComments
Xenorhabdus nematophila (ncbitaxon:628) - PubMed (29625040)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Odilorhabdin NOSO-95C (CHEBI:218846) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-N-[(2S)-1-[[(2S)-6-amino-1-[[(Z)-1-[[(2S)-6-amino-1-(4-aminobutylamino)-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopent-2-en-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-[(2R)-5-amino-2-[[2-[[(2S,3S)-4-amino-2-[[(2S,3S)-4-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]pentanoyl]pyrrolidine-2-carboxamide
Manual XrefsDatabases
88298204ChemSpider