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CHEBI:138690 - HP_dp12_0002
| Formula | C74H116N6O109S16 |
| Net Charge | 0 |
| Average Mass | 3346.747 |
| Monoisotopic Mass | 3343.92498 |
| SMILES | CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](OS(=O)(=O)O)[C@@H](NS(=O)(=O)O)[C@@H](O)O[C@@H]3COS(=O)(=O)O)O[C@@H]2C(=O)O)O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@@H](O[C@H]3O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]4O[C@@H](C(=O)O)[C@@H](O[C@H]5O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]6O[C@@H](C(=O)O)[C@@H](O[C@H]7O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]8O[C@@H](C(=O)O)[C@@H](O[C@H]9O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]%10OC(C(=O)O)=C[C@H](O)[C@H]%10OS(=O)(=O)O)[C@H](O)[C@H]9NS(=O)(=O)O)[C@H](O)[C@H]8OS(=O)(=O)O)[C@H](O)[C@H]7NS(=O)(=O)O)[C@H](O)[C@H]6OS(=O)(=O)O)[C@H](O)[C@H]5NS(=O)(=O)O)[C@H](O)[C@H]4OS(=O)(=O)O)[C@H](O)[C@H]3NS(=O)(=O)O)[C@H](O)[C@H]2O)[C@@H]1O |
| InChI | InChI=1S/C74H116N6O109S16/c1-9(81)75-18-24(83)37(12(3-156-195(123,124)125)164-64(18)175-44-30(89)32(91)70(181-52(44)58(97)98)174-42-17(8-161-200(138,139)140)162-63(107)23(80-194(120,121)122)43(42)186-202(144,145)146)169-69-31(90)29(88)45(53(180-69)59(99)100)176-65-19(76-190(108,109)110)26(85)39(14(165-65)5-158-197(129,130)131)171-72-49(187-203(147,148)149)34(93)47(55(182-72)61(103)104)178-67-21(78-192(114,115)116)28(87)41(16(167-67)7-160-199(135,136)137)173-74-51(189-205(153,154)155)35(94)48(56(184-74)62(105)106)179-68-22(79-193(117,118)119)27(86)40(15(168-68)6-159-198(132,133)134)172-73-50(188-204(150,151)152)33(92)46(54(183-73)60(101)102)177-66-20(77-191(111,112)113)25(84)38(13(166-66)4-157-196(126,127)128)170-71-36(185-201(141,142)143)10(82)2-11(163-71)57(95)96/h2,10,12-56,63-74,76-80,82-94,107H,3-8H2,1H3,(H,75,81)(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,103,104)(H,105,106)(H,108,109,110)(H,111,112,113)(H,114,115,116)(H,117,118,119)(H,120,121,122)(H,123,124,125)(H,126,127,128)(H,129,130,131)(H,132,133,134)(H,135,136,137)(H,138,139,140)(H,141,142,143)(H,144,145,146)(H,147,148,149)(H,150,151,152)(H,153,154,155)/t10-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33-,34-,35-,36+,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,47-,48-,49+,50+,51+,52-,53+,54+,55+,56+,63-,64+,65+,66+,67+,68+,69+,70+,71-,72+,73+,74+/m0/s1 |
| InChIKey | LFMQEKBURIICNU-CPBKZENESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Sus scrofa (ncbitaxon:9823) | |||
| - | PubMed (21658003) | Porcine intestinal mucosal heparin | |
| - | PubMed (20729345) | Porcine intestinal mucosa heparin |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| HP_dp12_0002 (CHEBI:138690) is a amino oligosaccharide (CHEBI:22483) |
| HP_dp12_0002 (CHEBI:138690) is a heparin dodecasaccharide (CHEBI:140094) |
| HP_dp12_0002 (CHEBI:138690) is a oligosaccharide sulfate (CHEBI:37909) |
| IUPAC Name |
|---|
| 4-deoxy-2-O-sulfo-α-L-threo-hex-4-enopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-α-L-idopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-α-L-idopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-α-L-idopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-α-L-idopyranuronosyl-(1→4)-2-acetamido-2-deoxy-6-O-sulfo-α-D-glucopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-α-D-glucopyranose |
| Synonym | Source |
|---|---|
| alpha-delta4,5-HexA(2S)-(1-4)-alpha-D-GlcpNS(6S)-(1-4)-alpha-L-IdopA(2S)-(1-4)-alpha-D-GlcpNS(6S)-(1-4)-alpha-L-IdopA(2S)-(1-4)-alpha-D-GlcpNS(6S)-(1-4)-alpha-L-IdopA(2S)-(1-4)-alpha-D-GlcpNS(6S)-(1-4)-alpha-L-IdopA-(1-4)-alpha-D-GlcpNAc(6S)-(1-4)-beta-D-GlcpA-(1-4)-alpha-D-GlcpNS(3S)(6S) | IUPAC |
| Manual Xrefs | Databases |
|---|---|
| G44304UI | GlyTouCan |
| Citations |
|---|