MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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tat-BP

MNXM83366 is deprecated and here replaced by MNXM1372014
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1372014
reference	chebi:46763
formula	C₃₇H₅₉N₇O₂₀
global charge	0
mol weight	921.908
InChIKey	UPFMKPIBAIPLHT-RSJSDIDPSA-N
InChI	InChI=1S/C37H59N7O20/c1-13(30(51)44-20(35(58)59)9-10-23(48)43-19(8-6-7-18(38)34(56)57)32(53)40-14(2)33(54)55)39-31(52)15(3)61-29-25(42-17(5)47)36-60-12-22(63-36)28(29)64-37-24(41-16(4)46)27(50)26(49)21(11-45)62-37/h13-15,18-22,24-29,36-37,45,49-50H,6-12,38H2,1-5H3,(H,39,52)(H,40,53)(H,41,46)(H,42,47)(H,43,48)(H,44,51)(H,54,55)(H,56,57)(H,58,59)/t13-,14+,15+,18+,19-,20+,21+,22+,24+,25+,26+,27+,28+,29+,36+,37-/m0/s1
SMILES	CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@@H](N)C(=O)O)C(=O)N[C@H](C)C(=O)O)C(=O)O)[C@@H](NC(C)=O)[C@@H]3OC[C@H]2O3)O[C@H](CO)[C@@H](O)[C@@H]1O

MNX internals

InChI (mnx)	InChI=1/C37H59N7O20/c1-13(30(51)44-20(35(58)59)9-10-23(48)43-19(8-6-7-18(38)34(56)57)32(53)40-14(2)33(54)55)39-31(52)15(3)61-29-25(42-17(5)47)36-60-12-22(63-36)28(29)64-37-24(41-16(4)46)27(50)26(49)21(11-45)62-37/h13-15,18-22,24-29,36-37,45,49-50H,6-12,38H2,1-5H3,(H,39,52)(H,40,53)(H,41,46)(H,42,47)(H,43,48)(H,44,51)(H,54,55)(H,56,57)(H,58,59)/t13-,14+,15+,18+,19-,20+,21+,22+,24+,25+,26+,27+,28+,29+,36+,37-/m0/s1
SMILES (mnx)	[CH3:1][C@@H:13]([C:30](=[N:44][C@H:20]([CH2:9][CH2:10][C:23](=[N:43][C@@H:19]([CH2:8][CH2:6][CH2:7][C@H:18]([C:34](=[O:56])[OH:57])[NH2:38])[C:32](=[N:40][C@H:14]([CH3:2])[C:33](=[O:54])[OH:55])[OH:53])[OH:48])[C:35](=[O:58])[OH:59])[OH:51])[N:39]=[C:31]([C@@H:15]([CH3:3])[O:61][C@@H:29]1[C@@H:25]([N:42]=[C:17]([CH3:5])[OH:47])[C@@H:36]2[O:60][CH2:12][C@H:22]([C@H:28]1[O:64][C@H:37]1[C@H:24]([N:41]=[C:16]([CH3:4])[OH:46])[C@@H:27]([OH:50])[C@H:26]([OH:49])[C@@H:21]([CH2:11][OH:45])[O:62]1)[O:63]2)[OH:52]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-205686 reactomeM:R-ALL-205686 reactome:R-ALL-214401 reactomeM:R-ALL-214401 CHEBI:46763 chebi:46763 UPFMKPIBAIPLHT-RSJSDIDPSA-N	tat-BP N-(N-acetyl-4-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-1,6-anhydro-beta-muramoyl)-L-alanyl-D-gamma-glutamyl-(6R)-6-carboxy-L-lysyl-D-alanine N-[(2R)-2-{[(1R,2S,3R,4R,5R)-4-acetamido-2-(2-acetamido-2-deoxy-beta-D-glucopyranosyloxy)-6,8-dioxabicyclo[3.2.1]oct-3-yl]oxy}propanoyl]-L-alanyl-N-[(1S,5R)-5-amino-5-carboxy-1-{[(1R)-1-carboxyethyl]carbamoyl}pentyl]-D-glutamine N-[N-acetyl-4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-1,6-anhydro-beta-muramoyl]-L-alanyl-D-gamma-glutamyl-(6R)-6-carboxy-L-lysyl-D-alanine
CHEBI:195208 chebi:195208 UPFMKPIBAIPLHT-RSJSDIDPSA-L	N-acetyl-beta-D-glucosaminyl-(1->4)-1,6-anhydro-N-acetyl-beta-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanine N-acetyl-D-glucosaminyl-1,6-anhydro-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-diaminopimelyl-D-alanine(2-) TCT(2-) tat-BP(2-) tracheal cytotoxic glycopeptide(2-)