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CHEBI:222439 - POH 1

ChEBI IDCHEBI:222439
ChEBI NamePOH 1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H67N13O17S
Net Charge0
Average Mass1046.128
Monoisotopic Mass1045.44986
SMILESC[C@H](O)C(NC(=O)C(CC(N)=O)NC(=O)C(CS)NC(=O)C(CCC(N)=O)NC(=O)C1CCCN1C(=O)C(NC(=O)C(CCC(=O)O)NC(=O)C(N)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N1CCCC1C(N)=O
InChIInChI=1S/C41H67N13O17S/c1-17(55)30(44)39(69)48-21(9-11-29(61)62)35(65)52-32(19(3)57)41(71)54-13-5-7-25(54)38(68)47-20(8-10-26(42)58)34(64)50-23(16-72)37(67)49-22(14-27(43)59)36(66)51-31(18(2)56)40(70)46-15-28(60)53-12-4-6-24(53)33(45)63/h17-25,30-32,55-57,72H,4-16,44H2,1-3H3,(H2,42,58)(H2,43,59)(H2,45,63)(H,46,70)(H,47,68)(H,48,69)(H,49,67)(H,50,64)(H,51,66)(H,52,65)(H,61,62)/t17-,18+,19-,20?,21?,22?,23?,24?,25?,30?,31?,32?/m1/s1
InChIKeyVQUWZPAMNLOCKJ-CMMHUCOGSA-N
Species of MetaboliteComponentSourceComments
Pleurotus ostreatus (ncbitaxon:5322) - PubMed (9846731)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
POH 1 (CHEBI:222439) is a polypeptide (CHEBI:15841)
IUPAC Name 
5-[[(3R)-1-[2-[[5-amino-1-[[1-[[4-amino-1-[[(3S)-1-[[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-sulanylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[(3R)-2-amino-3-hydroxybutanoyl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
78445681ChemSpider