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6-beta-iodopenicillanate

Properties

Image

Occurences in reactions

MNX_ID

MNXM38955

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₈H₉INO₃S

charge

-1

mass

325.93534

reference

InChIKey

XWDSFLSFDJZQTM-ALEPSDHESA-M

InChI

InChI=1S/C8H10INO3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,1-2H3,(H,12,13)/p-1/t3-,4+,6-/m1/s1

SMILES

CC1(C)S[C@@H]2[C@H](I)C(=O)N2[C@H]1C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-9236 metacycM:CPD-9236	6-beta-iodopenicillanate 6-beta-Iodopenicillanate 6-beta-Iodopenicillanic acid 6-iodopenicillanic acid
seed.compound:cpd25614 seedM:cpd25614	6-beta-Iodopenicillanate 6-beta-Iodopenicillanic acid 6-beta-iodopenicillanate 6-iodopenicillanic acid
sabiork.compound:24600 sabiorkM:24600	6-beta-Iodopenicillanic acid
seedM:M_cpd25614	secondary/obsolete/fantasy identifier