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CHEBI:42181 - N-((-)-(7S,8R,9S,10R)[7,8,9-TRIHYDROXY-7,8,9,10-TETRA HYDROBENZO[A]PYREN-10-YL])-2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE

Default Structure
ChEBI IDCHEBI:42181
ChEBI NameN-((-)-(7S,8R,9S,10R)[7,8,9-TRIHYDROXY-7,8,9,10-TETRA HYDROBENZO[A]PYREN-10-YL])-2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC30H28N5O9P
Net Charge0
Average Mass633.554
Monoisotopic Mass633.16246
SMILES[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N([H])c2nc([H])nc3c2nc([H])n3[C@]2([H])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[H])[C@@]([H])(O[H])C2([H])[H])c2c(c([H])c3c([H])c([H])c4c([H])c([H])c([H])c5c([H])c([H])c2c3c45)[C@]1([H])O[H]
InChIInChI=1S/C30H28N5O9P/c36-18-9-20(44-19(18)10-43-45(40,41)42)35-12-33-25-29(31-11-32-30(25)35)34-24-23-16-7-6-14-3-1-2-13-4-5-15(22(16)21(13)14)8-17(23)26(37)28(39)27(24)38/h1-8,11-12,18-20,24,26-28,36-39H,9-10H2,(H,31,32,34)(H2,40,41,42)/t18-,19+,20+,24+,26-,27-,28+/m0/s1
InChIKeyPCKWPNBFFBGKTM-CYWHKOSGSA-N
ChEBI Ontology
Outgoing Relation(s)
N-((-)-(7S,8R,9S,10R)[7,8,9-TRIHYDROXY-7,8,9,10-TETRA HYDROBENZO[A]PYREN-10-YL])-2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE (CHEBI:42181) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2'-deoxy-N-[(7S,8R,9S,10R)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]adenosine 5'-(dihydrogen phosphate)PDBeChem
N-((-)-(7S,8R,9S,10R)[7,8,9-TRIHYDROXY-7,8,9,10-TETRA HYDROBENZO[A]PYREN-10-YL])-2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATEPDBeChem
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