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CHEBI:218854 - Odilorhabdin NOSO-95179

ChEBI IDCHEBI:218854
ChEBI NameOdilorhabdin NOSO-95179
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H76N18O11
Net Charge0
Average Mass1021.196
Monoisotopic Mass1020.59410
SMILESC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](CCCCN)C(=O)N/C(=C\CCN=C(N)N)C(=O)O
InChIInChI=1S/C43H76N18O11/c1-24(55-40(69)34(32(62)20-47)60-36(65)26(48)9-2-4-14-44)35(64)53-22-33(63)56-28(11-6-16-46)41(70)61-18-8-13-31(61)39(68)59-30(19-25-21-51-23-54-25)38(67)57-27(10-3-5-15-45)37(66)58-29(42(71)72)12-7-17-52-43(49)50/h12,21,23-24,26-28,30-32,34,62H,2-11,13-20,22,44-48H2,1H3,(H,51,54)(H,53,64)(H,55,69)(H,56,63)(H,57,67)(H,58,66)(H,59,68)(H,60,65)(H,71,72)(H4,49,50,52)/b29-12-/t24-,26-,27-,28+,30-,31-,32-,34-/m0/s1
InChIKeyVQUGHNAKLLLLKI-YKEDTOGJSA-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-95179 (CHEBI:218854) is a peptide (CHEBI:16670)
IUPAC Name 
(Z)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2R)-5-amino-2-[[2-[[(2S)-2-[[(2S,3S)-4-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]acetyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pent-2-enoic acid
Manual XrefsDatabases
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