CXCL12-(1-9)   Click here for help

GtoPdb Ligand ID: 847

Synonyms: CXCL12, 1-9
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CS)CCCN=C(N)N)Cc1ccc(cc1)O)CO)CC(C)C)CO)C(C)C)N
Isomeric SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)O
InChI InChI=1S/C46H77N13O13S/c1-24(2)19-30(53-41(67)33(22-61)56-43(69)36(25(3)4)58-42(68)35-11-8-18-59(35)44(70)28(48)9-5-6-16-47)38(64)55-32(21-60)40(66)54-31(20-26-12-14-27(62)15-13-26)39(65)52-29(10-7-17-51-46(49)50)37(63)57-34(23-73)45(71)72/h12-15,24-25,28-36,60-62,73H,5-11,16-23,47-48H2,1-4H3,(H,52,65)(H,53,67)(H,54,66)(H,55,64)(H,56,69)(H,57,63)(H,58,68)(H,71,72)(H4,49,50,51)/t28-,29-,30-,31-,32-,33-,34-,35-,36-/m0/s1
InChI Key LDJISKZMVNIUHX-VXJRNSOOSA-N
Classification Click here for help
Compound class Peptide or derivative
Synonyms Click here for help
CXCL12, 1-9
Database Links Click here for help
GtoPdb PubChem SID 135652070
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