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CHEBI:181386 - 19-Chloroproansamitocin
| Formula | C25H32ClNO6 |
| Net Charge | 0 |
| Average Mass | 477.985 |
| Monoisotopic Mass | 477.19182 |
| SMILES | CO[C@@H]1/C=C/C=C(\C)Cc2cc(O)c(Cl)c(c2)NC(=O)C[C@H](O)/C(C)=C/[C@H](C)[C@@H](O)CC1=O |
| InChI | InChI=1S/C25H32ClNO6/c1-14-6-5-7-23(33-4)21(30)12-19(28)15(2)9-16(3)20(29)13-24(32)27-18-10-17(8-14)11-22(31)25(18)26/h5-7,9-11,15,19-20,23,28-29,31H,8,12-13H2,1-4H3,(H,27,32)/b7-5+,14-6+,16-9+/t15-,19-,20-,23+/m0/s1 |
| InChIKey | GJTIYVOPSZQHSS-SKFVYDBLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 19-Chloroproansamitocin (CHEBI:181386) is a azamacrocycle (CHEBI:52898) |
| 19-Chloroproansamitocin (CHEBI:181386) is a keratan 6'-sulfate (CHEBI:18331) |
| IUPAC Name |
|---|
| (5S,6E,8S,9S,12R,13E,15E)-21-chloro-5,9,20-trihydroxy-12-methoxy-6,8,16-trimethyl-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaene-3,11-dione |