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CHEBI:212304 - POH 3

ChEBI IDCHEBI:212304
ChEBI NamePOH 3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H68N12O15S
Net Charge0
Average Mass1001.131
Monoisotopic Mass1000.46478
SMILESCC(NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CC(N)=O)NC(=O)C(N)[C@@H](C)O)C(=O)N1CCCC1C(=O)NC(C(=O)NC(CS)C(=O)NC(C(=O)NC(C(N)=O)[C@H](C)O)[C@@H](C)O)[C@@H](C)O
InChIInChI=1S/C41H68N12O15S/c1-17(45-34(61)24-9-7-13-52(24)41(68)26-11-8-14-53(26)40(67)22(15-27(42)58)46-36(63)28(43)18(2)54)39(66)51-12-6-10-25(51)35(62)50-30(20(4)56)37(64)47-23(16-69)33(60)49-31(21(5)57)38(65)48-29(19(3)55)32(44)59/h17-26,28-31,54-57,69H,6-16,43H2,1-5H3,(H2,42,58)(H2,44,59)(H,45,61)(H,46,63)(H,47,64)(H,48,65)(H,49,60)(H,50,62)/t17?,18-,19+,20-,21-,22?,23?,24?,25?,26?,28?,29?,30?,31?/m1/s1
InChIKeyDDANCFZIEHSLSJ-XYMUKPEBSA-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 3 (CHEBI:212304) is a polypeptide (CHEBI:15841)
IUPAC Name 
1-[1-[4-amino-2-[[(3R)-2-amino-3-hydroxybutanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]-N-[1-[2-[[(3R)-1-[[1-[[(3R)-1-[[(3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulanylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Manual XrefsDatabases
78445699ChemSpider