CHEBI:138688 - HP_dp14_0002

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ChEBI Name HP_dp14_0002 ChEBI ID CHEBI:138688 Definition A heparin tetradecasaccharide consisting of 4-deoxy-2-O-sulfo-α-L-threo-hex-4-enopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl, 2-O-sulfo-α-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl, 2-O-sulfo-α-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl, 2-O-sulfo-α-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl, 2-O-sulfo-α-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl, α-L-idopyranuronosyl, 2-acetamido-2-deoxy-6-O-sulfo-α-D-glucopyranosyl, β-D-glucopyranuronosyl, and 2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-α-D-glucopyranose units joined in sequence by (1→4) linkages. Sequence: DUA2S-[-GlcNS6S-IdoA2S-]4-GlcNS6S-IdoA-GlcNAc6S-GlcA-GlcNS3S6S. Stars This entity has been manually annotated by the ChEBI Team. Submitter Sylvie RICARD-BLUM Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C86H135N7O128S19 Net Charge 0 Average Mass 3924.222 Monoisotopic Mass 3920.89632 InChI InChI=1S/C86H135N7O128S19/c1-10(94)87-20-27(96)42(13(3-182-228(143,144)145)191-74(20)204-50-34(103)36(105)81(211-60(50)67(112)113)203-48-19(9-188-234(161,162)163)189-73(124)26(93-227(140,141)142)49(48)217-236(167,168)169)197-80-35(104)33(102)51(61(210-80)68(114)115)205-75-21(88-222(125,126)127)29(98)44(15(192-75)5-184-230(149,150)151)199-83-56(218-237(170,171)172)38(107)53(63(212-83)70(118)119)207-77-23(90-224(131,132)133)31(100)46(17(194-77)7-186-232(155,156)157)201-85-58(220-239(176,177)178)40(109)55(65(214-85)72(122)123)209-79-25(92-226(137,138)139)32(101)47(18(196-79)8-187-233(158,159)160)202-86-59(221-240(179,180)181)39(108)54(64(215-86)71(120)121)208-78-24(91-225(134,135)136)30(99)45(16(195-78)6-185-231(152,153)154)200-84-57(219-238(173,174)175)37(106)52(62(213-84)69(116)117)206-76-22(89-223(128,129)130)28(97)43(14(193-76)4-183-229(146,147)148)198-82-41(216-235(164,165)166)11(95)2-12(190-82)66(110)111/h2,11,13-65,73-86,88-93,95-109,124H,3-9H2,1H3,(H,87,94)(H,110,111)(H,112,113)(H,114,115)(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H,125,126,127)(H,128,129,130)(H,131,132,133)(H,134,135,136)(H,137,138,139)(H,140,141,142)(H,143,144,145)(H,146,147,148)(H,149,150,151)(H,152,153,154)(H,155,156,157)(H,158,159,160)(H,161,162,163)(H,164,165,166)(H,167,168,169)(H,170,171,172)(H,173,174,175)(H,176,177,178)(H,179,180,181)/t11-,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+,57+,58+,59+,60-,61+,62+,63+,64+,65+,73-,74+,75+,76+,77+,78+,79+,80+,81+,82-,83+,84+,85+,86+/m0/s1 InChIKey ULLAKNQXSWLUMN-FTKWRMFLSA-N SMILES N(S(O)(=O)=O)[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O[C@@H]2O[C@H]([C@H]([C@@H]([C@H]2OS(O)(=O)=O)O)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3NS(O)(=O)=O)O)O[C@@H]4O[C@H]([C@H]([C@@H]([C@H]4OS(O)(=O)=O)O)O[C@H]5O[C@@H]([C@H]([C@@H]([C@H]5NS(O)(=O)=O)O)O[C@@H]6OC(=C[C@@H]([C@H]6OS(O)(=O)=O)O)C(=O)O)COS(O)(=O)=O)C(=O)O)COS(O)(=O)=O)C(=O)O)COS(O)(=O)=O)O[C@H]7[C@@H]([C@H]([C@@H](O[C@H]7C(=O)O)O[C@H]8[C@@H]([C@H]([C@H](O[C@@H]8COS(O)(=O)=O)O[C@H]9[C@@H]([C@H]([C@@H](O[C@H]9C(=O)O)O[C@H]%10[C@@H]([C@H]([C@H](O[C@@H]%10COS(O)(=O)=O)O[C@H]%11[C@@H]([C@H]([C@@H](O[C@H]%11C(=O)O)O[C@H]%12[C@@H]([C@H]([C@H](O[C@@H]%12COS(O)(=O)=O)O[C@H]%13[C@@H]([C@H]([C@@H](O[C@@H]%13C(=O)O)O[C@H]%14[C@@H]([C@H]([C@H](O[C@@H]%14COS(O)(=O)=O)O)NS(O)(=O)=O)OS(=O)(=O)O)O)O)NC(C)=O)O)O)O)NS(O)(=O)=O)O)OS(O)(=O)=O)O)NS(O)(=O)=O)O)OS(O)(=O)=O)O Metabolite of Species Details Sus scrofa (NCBI:txid9823) Porcine intestinal mucosal heparin See: PubMed Sus scrofa (NCBI:txid9823) Porcine intestinal mucosa heparin See: PubMed ChEBI Ontology Outgoing HP_dp14_0002 (CHEBI:138688) is a amino oligosaccharide (CHEBI:22483) HP_dp14_0002 (CHEBI:138688) is a heparin tetradecasaccharide (CHEBI:140098) HP_dp14_0002 (CHEBI:138688) 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-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(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 Xref Database G39725XP GlyTouCan View more database links Citations Types Sources 20729345 PubMed citation Europe PMC 21658003 PubMed citation Europe PMC Last Modified 13 February 2018