1. Primary Information
| English name: | Fuc-alpha1,2gal-beta1,3galnac-beta1,4(neu5AC-alpha2,3)gal-beta1,4glc-beta1,1 ceramide, NH4, bovine |
| CAS No.: | 71812-11-8 |
| Molecular formula: | C79H144N4O35 |
| Molecular weight: | 1710.0 g/mol |
| SMILES: | CCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)C)O)O)O)NC(=O)C)OC6(CC(C(C(O6)C(C(CO)O)O)NC(=O)C)O)C(=O)[O-])O)O)O)C(C=CCCCCCCCCCCCCC)O.[NH4+] |
| Structural class: | |
| Other identifiers: |
Fuc-GM1 antigen Fucalpha1-2Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta1-1'Cer fucosyl GM1 fucosyl GM1 ganglioside fucosyl-GM1 antigen |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 500ug | ≥98% | 14080 | −20°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
azanium;(2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E,2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-4-enoxy]oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
4.2 InChI
InChI=1S/C79H141N3O35.H3N/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-54(93)82-46(47(90)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)42-106-74-65(102)63(100)67(52(40-86)110-74)112-76-66(103)71(117-79(78(104)105)36-48(91)55(80-44(4)88)70(116-79)58(95)49(92)37-83)68(53(41-87)111-76)113-73-56(81-45(5)89)69(60(97)51(39-85)108-73)114-77-72(62(99)59(96)50(38-84)109-77)115-75-64(101)61(98)57(94)43(3)107-75;/h32,34,43,46-53,55-77,83-87,90-92,94-103H,6-31,33,35-42H2,1-5H3,(H,80,88)(H,81,89)(H,82,93)(H,104,105);1H3/b34-32+;/t43-,46+,47-,48+,49-,50-,51-,52-,53-,55-,56-,57+,58-,59+,60+,61+,62+,63-,64-,65-,66-,67-,68+,69-,70-,71-,72-,73+,74-,75-,76+,77+,79+;/m1./s1
4.3 InChIKey
KGLMLMVKNXAWPF-CERPTGAXSA-N
4.4 Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)C)O)O)O)NC(=O)C)OC6(CC(C(C(O6)C(C(CO)O)O)NC(=O)C)O)C(=O)[O-])O)O)O)C(C=CCCCCCCCCCCCCC)O.[NH4+]
4.5 Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)C)O)O)O)NC(=O)C)O[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)[O-])O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O.[NH4+]
