EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:138695 - HP_dp10_0001
| Formula | C60H95N5O95S15 |
| Net Charge | 0 |
| Average Mass | 2887.365 |
| Monoisotopic Mass | 2884.85670 |
| SMILES | O=C(O)C1=C[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@H]3[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]4[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@H]5[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]6[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@H]7[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]8[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@H]9[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]%10[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O)O[C@@H]%10COS(=O)(=O)O)O[C@H]9C(=O)O)O[C@@H]8COS(=O)(=O)O)O[C@H]7C(=O)O)O[C@@H]6COS(=O)(=O)O)O[C@H]5C(=O)O)O[C@@H]4COS(=O)(=O)O)O[C@H]3C(=O)O)O[C@@H]2COS(=O)(=O)O)O1 |
| InChI | InChI=1S/C60H95N5O95S15/c66-7-1-8(46(76)77)138-56(28(7)156-171(117,118)119)143-30-10(3-133-167(105,106)107)139-52(15(20(30)68)62-162(90,91)92)148-35-25(73)39(158-173(123,124)125)58(153-43(35)48(80)81)145-32-12(5-135-169(111,112)113)141-54(17(22(32)70)64-164(96,97)98)150-37-27(75)41(160-175(129,130)131)60(155-45(37)50(84)85)147-33-13(6-136-170(114,115)116)142-55(18(23(33)71)65-165(99,100)101)151-36-26(74)40(159-174(126,127)128)59(154-44(36)49(82)83)146-31-11(4-134-168(108,109)110)140-53(16(21(31)69)63-163(93,94)95)149-34-24(72)38(157-172(120,121)122)57(152-42(34)47(78)79)144-29-9(2-132-166(102,103)104)137-51(86)14(19(29)67)61-161(87,88)89/h1,7,9-45,51-75,86H,2-6H2,(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H,84,85)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)(H,102,103,104)(H,105,106,107)(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)/t7-,9+,10+,11+,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+,51-,52+,53+,54+,55+,56-,57+,58+,59+,60+/m0/s1 |
| InChIKey | VAKLQMARDAUGJO-HMCYYLMPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Bos taurus (ncbitaxon:9913) | |||
| - | PubMed (12071948) | Bovine lung heparin | |
| - | PubMed (11560500) | Bovine lung heparin | |
| Sus scrofa (ncbitaxon:9823) | |||
| - | PubMed (7717977) | Porcine heparin | |
| - | PubMed (14707146) | Porcine mucosal heparin | |
| - | PubMed (21658003) | Porcine intestinal mucosal heparin | |
| - | PubMed (20729345) | Porcine intestinal mucosa heparin |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| HP_dp10_0001 (CHEBI:138695) is a amino decasaccharide (CHEBI:68691) |
| HP_dp10_0001 (CHEBI:138695) is a heparin decasaccharide (CHEBI:139379) |
| HP_dp10_0001 (CHEBI:138695) 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)-2-O-sulfo-α-L-idopyranuronosyl-(1→4)-2-deoxy-6-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(2S)-(1-4)-alpha-D-GlcpNS(6S) | IUPAC |
| Manual Xrefs | Databases |
|---|---|
| G39123FZ | GlyTouCan |
| Registry Numbers | Sources |
|---|---|
| Reaxys:21271937 | Reaxys |
| Citations |
|---|