1-Piperazinecarbothioamide, 4-methyl-N-(4-((4-nitrophenyl)amino)phenyl)-, 4-oxide (BioDeep_00000896288)
human metabolite blood metabolite
代谢物信息卡片
化学式: C160H204N63O117P17 (5405.748906400001)
中文名称:
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=C(NC5=O)N)O)OP(=O)(O)OCC6C(C(C(O6)N7C=NC8=C7N=C(NC8=O)N)O)OP(=O)(O)OCC9C(C(C(O9)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)O)O
InChI: InChI=1S/C160H204N63O117P17/c161-67-1-11-207(151(246)193-67)133-86(228)102(51(309-133)22-291-341(256,257)258)325-343(261,262)306-36-65-117(101(243)148(323-65)223-49-192-83-129(223)204-150(175)206-131(83)245)340-357(289,290)307-37-66-116(100(242)147(324-66)222-48-191-82-128(222)203-149(174)205-130(82)244)339-355(285,286)300-29-58-106(90(232)137(316-58)211-15-5-71(165)197-155(211)250)329-346(267,268)297-30-59-110(94(236)141(317-59)215-19-9-75(224)201-159(215)254)333-347(269,270)295-25-54-107(91(233)138(312-54)212-16-6-72(166)198-156(212)251)331-350(275,276)303-33-62-113(97(239)144(320-62)219-45-188-79-120(171)178-40-183-125(79)219)337-354(283,284)301-31-60-111(95(237)142(318-60)216-20-10-76(225)202-160(216)255)334-348(271,272)296-26-55-108(92(234)139(313-55)213-17-7-73(167)199-157(213)252)330-349(273,274)302-32-61-112(96(238)143(319-61)218-44-187-78-119(170)177-39-182-124(78)218)335-352(279,280)299-28-57-109(93(235)140(315-57)214-18-8-74(168)200-158(214)253)332-351(277,278)304-34-63-115(99(241)146(321-63)221-47-190-81-122(173)180-42-185-127(81)221)338-356(287,288)305-35-64-114(98(240)145(322-64)220-46-189-80-121(172)179-41-184-126(80)220)336-353(281,282)298-27-56-105(89(231)136(314-56)210-14-4-70(164)196-154(210)249)328-345(265,266)294-24-53-104(88(230)135(311-53)209-13-3-69(163)195-153(209)248)327-344(263,264)293-23-52-103(87(229)134(310-52)208-12-2-68(162)194-152(208)247)326-342(259,260)292-21-50-84(226)85(227)132(308-50)217-43-186-77-118(169)176-38-181-123(77)217/h1-20,38-66,84-117,132-148,226-243H,21-37H2,(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,289,290)(H2,161,193,246)(H2,162,194,247)(H2,163,195,248)(H2,164,196,249)(H2,165,197,250)(H2,166,198,251)(H2,167,199,252)(H2,168,200,253)(H2,169,176,181)(H2,170,177,182)(H2,171,178,183)(H2,172,179,184)(H2,173,180,185)(H,201,224,254)(H,202,225,255)(H2,256,257,258)(H3,174,203,205,244)(H3,175,204,206,245)
描述信息
同义名列表
4 个代谢物同义名
{[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-({[(3-{[({3-[({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-{[({3-[({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-({[(3-{[({3-[({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-{[({3-[({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-({[(3-{[({3-[({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-[({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-[({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-4-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-4-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-4-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-2-yl}methoxy)(hydroxy)phosphoryl]oxy}-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-2-yl)methoxy](hydroxy)phosphoryl}oxy)-4-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-2-yl}methoxy)(hydroxy)phosphoryl]oxy}-4-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-hydroxyoxolan-2-yl}methoxy)(hydroxy)phosphoryl]oxy}-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-2-yl)methoxy](hydroxy)phosphoryl}oxy)-4-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-hydroxyoxolan-2-yl}methoxy)(hydroxy)phosphoryl]oxy}-4-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-4-hydroxyoxolan-2-yl}methoxy)(hydroxy)phosphoryl]oxy}-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-4-hydroxyoxolan-2-yl)methoxy](hydroxy)phosphoryl}oxy)-4-hydroxyoxolan-2-yl]methoxy}phosphonic acid; [5-(4-amino-2-oxopyrimidin-1-yl)-3-({[3-({[3-({[5-(4-amino-2-oxopyrimidin-1-yl)-3-({[3-({[5-(4-amino-2-oxopyrimidin-1-yl)-3-({[3-({[3-({[5-(4-amino-2-oxopyrimidin-1-yl)-3-({[3-({[5-(4-amino-2-oxopyrimidin-1-yl)-3-({[3-({[3-({[5-(4-amino-2-oxopyrimidin-1-yl)-3-({[5-(4-amino-2-oxopyrimidin-1-yl)-3-({[5-(4-amino-2-oxopyrimidin-1-yl)-3-({[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)-4-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)-4-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)-4-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)-4-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)-4-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)-4-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)-4-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)-4-hydroxyoxolan-2-yl]methoxyphosphonic acid; 1-Piperazinecarbothioamide, 4-methyl-N-(4-((4-nitrophenyl)amino)phenyl)-, 4-oxide; Cggcucaucacaaccca
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代谢反应
0 个相关的代谢反应过程信息。
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1 个相关的物种来源信息
在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：
- PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
- NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
- Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
- Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。
点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。