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streptothricin D acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM739148

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₃₁H₆₅N₁₂O₁₁

charge

mass

781.48683

reference

chebi:60839

InChIKey

DLWGZGTWTREZQM-UFFKCXTPSA-S

InChI

InChI=1S/C31H60N12O11/c32-7-1-4-15(34)10-20(46)38-8-2-5-16(35)11-21(47)39-9-3-6-17(36)12-22(48)40-25-26(49)27(54-30(37)52)19(14-44)53-28(25)43-31-41-23(18(45)13-33)24(42-31)29(50)51/h15-19,23-28,44-45,49H,1-14,32-36H2,(H2,37,52)(H,38,46)(H,39,47)(H,40,48)(H,50,51)(H2,41,42,43)/p+5/t15-,16-,17-,18+,19+,23+,24-,25+,26-,27-,28+/m0/s1

SMILES

NC(=O)O[C@@H]1[C@@H](O)[C@@H](NC(=O)C[C@@H]([NH3+])CCCNC(=O)C[C@@H]([NH3+])CCCNC(=O)C[C@@H]([NH3+])CCC[NH3+])[C@H](/[NH+]=C2/N[C@H](C(=O)[O-])[C@@H]([C@H](O)C[NH3+])N2)O[C@@H]1CO

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:60839 chebi:60839	streptothricin D acid (2E,4S,5S)-2-{[(2R,3R,4S,5R,6R)-3-{[(3S)-3-ammonio-6-{[(3S)-3-ammonio-6-{[(3S)-3,6-diammoniohexanoyl]amino}hexanoyl]amino}hexanoyl]amino}-5-(carbamoyloxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]iminio}-5-[(1R)-2-ammonio-1-hydroxyethyl]imidazolidine-4-carboxylate streptothricin D acid (pH 7.3)
metacyc.compound:CPD-12721 metacycM:CPD-12721 seed.compound:cpd23552 seedM:cpd23552	streptothricin D acid
CHEBI:60830 chebi:60830	streptothricin D acid 2-{[(3S)-3-amino-6-{[(3S)-3-amino-6-{[(3S)-3,6-diaminohexanoyl]amino}hexanoyl]amino}hexanoyl]amino}-N-{(4S,5S)-4-[(1R)-2-amino-1-hydroxyethyl]-5-carboxyimidazolidin-2-ylidene}-4-O-carbamoyl-2-deoxy-beta-D-gulopyranosylamine antibiotic OP 2C acid racemomycin B acid
seedM:M_cpd23552	secondary/obsolete/fantasy identifier