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CHEBI:218834 - Odilorhabdin NOSO-95A

ChEBI IDCHEBI:218834
ChEBI NameOdilorhabdin NOSO-95A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H101N23O14
Net Charge0
Average Mass1296.549
Monoisotopic Mass1295.78983
SMILESNCCCCNC(=O)[C@H](CC[C@H](O)CN)NC(=O)/C(=C/CCN=C(N)N)NC(=O)[C@H](CC[C@H](O)CN)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/C54H101N23O14/c55-16-2-1-8-33(62)45(83)75-44(41(81)26-61)52(90)76-43(40(80)25-60)51(89)68-28-42(82)70-37(9-5-18-57)53(91)77-21-7-11-39(77)50(88)74-38(22-30-27-65-29-69-30)49(87)73-36(15-13-32(79)24-59)48(86)71-34(10-6-20-67-54(63)64)47(85)72-35(14-12-31(78)23-58)46(84)66-19-4-3-17-56/h10,27,29,31-33,35-41,43-44,78-81H,1-9,11-26,28,55-62H2,(H,65,69)(H,66,84)(H,68,89)(H,70,82)(H,71,86)(H,72,85)(H,73,87)(H,74,88)(H,75,83)(H,76,90)(H4,63,64,67)/b34-10-/t31-,32-,33-,35-,36-,37+,38-,39-,40-,41-,43-,44-/m0/s1
InChIKeyZDDTZHKHBWNHBP-XEABWGDRSA-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-95A (CHEBI:218834) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-N-[(2S)-1-[[(2S,5S)-6-amino-1-[[(Z)-1-[[(2S,5S)-6-amino-1-(4-aminobutylamino)-5-hydroxy-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopent-2-en-2-yl]amino]-5-hydroxy-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