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CHEBI:172962 - phytosulfokine(2−)

ChEBI IDCHEBI:172962
ChEBI Namephytosulfokine(2−)
Stars
ASCII Namephytosulfokine(2-)
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC33H44N6O16S2
Net Charge-2
Average Mass844.875
Monoisotopic Mass844.22662
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(OS(=O)(=O)[O-])cc1)C(=O)N[C@@H](Cc1ccc(OS(=O)(=O)[O-])cc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)[O-])[C@@H](C)O
InChIInChI=1S/C33H46N6O16S2/c1-4-17(2)27(38-29(42)23(34)15-19-5-9-21(10-6-19)54-56(48,49)50)31(44)37-25(16-20-7-11-22(12-8-20)55-57(51,52)53)30(43)39-28(18(3)40)32(45)36-24(33(46)47)13-14-26(35)41/h5-12,17-18,23-25,27-28,40H,4,13-16,34H2,1-3H3,(H2,35,41)(H,36,45)(H,37,44)(H,38,42)(H,39,43)(H,46,47)(H,48,49,50)(H,51,52,53)/p-2/t17-,18+,23-,24-,25-,27-,28-/m0/s1
InChIKeyBSUVNQLYZGXYQY-SIDFPDLGSA-L
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
phytosulfokine(2−) (CHEBI:172962) is a pentapeptide (CHEBI:48545)
Synonyms  Source
phytosulfokine-alphaSUBMITTER
H-Tyr(SO3)-Ile-Tyr(SO3)-Thr-Gln-OHSUBMITTER
UniProt Name  Source
phytosulfokineUniProt
Citations