Basic Information |
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| Product Name： | LINKER XBA I, PHOSPHORYLATED |
| English Synonyms： | XBA I LINKER ; LINKER XBA I, PHOSPHORYLATED |
| MDL Number.： | MFCD00214094 |
| H bond acceptor： | 76 |
| H bond donor： | 19 |
| Smile： | CC1=CN([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)N3C=NC4=C3N=C(N)NC4=O)N3C=NC4=C3N=CN=C4N)N3C=NC4=C3N=C(N)NC4=O)N3C=NC4=C3N=CN=C4N)N3C=C(C)C(=O)NC3=O)N3C=CC(N)=NC3=O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)N3C=CC(N)=NC3=O)O2)C(=O)NC1=O |
| InChi： | InChI=1S/C78H99N30O46P7/c1-31-15-103(77(117)99-69(31)111)54-10-36(44(143-54)20-134-156(121,122)148-34-8-52(140-41(34)17-109)101-5-3-49(79)93-75(101)115)150-158(125,126)135-19-43-35(9-53(142-43)102-6-4-50(80)94-76(102)116)149-157(123,124)136-21-45-37(11-55(144-45)104-16-32(2)70(112)100-78(104)118)151-159(127,128)137-23-47-39(13-57(146-47)106-28-90-60-64(82)86-26-88-66(60)106)153-160(129,130)139-24-48-40(14-58(147-48)108-30-92-62-68(108)96-74(84)98-72(62)114)154-161(131,132)138-22-46-38(12-56(145-46)105-27-89-59-63(81)85-25-87-65(59)105)152-155(119,120)133-18-42-33(110)7-51(141-42)107-29-91-61-67(107)95-73(83)97-71(61)113/h3-6,15-16,25-30,33-48,51-58,109-110H,7-14,17-24H2,1-2H3,(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H2,79,93,115)(H2,80,94,116)(H2,81,85,87)(H2,82,86,88)(H,99,111,117)(H,100,112,118)(H3,83,95,97,113)(H3,84,96,98,114)/t33-,34-,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46+,47+,48+,51+,52+,53+,54+,55+,56+,57+,58+/m0/s1 |
| InChiKey： | InChIKey=USEOARJGUPWDPN-HQIWNEIVSA-N |
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